SCHEMBL620338

SCHEMBL620338

O=C1CC(c2ccccc2O)N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.42
ADORA3 P0DMS8 1/20 0.42
HSD11B1 P28845 1/20 0.42
AKR1C3 P42330 1/20 0.42
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 2/20 0.40
APP P05067 1/20 0.40
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
CYP2C19 P33261 1/20 0.40
SNCA P37840 1/20 0.40
RAB9A P51151 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5889291 0.83 IKBKB (0.42) ARADORA3HSD11B1AKR1C3ALDH1A1
SCHEMBL16344586 0.79 MEN1 (0.42) ARADORA3HSD11B1AKR1C3ALDH1A1
SCHEMBL621942 0.73 BRD4 (0.47) CREBBPBRD4
SCHEMBL5083830 0.73 IDO1 (0.58) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL28094389 0.73 MTNR1A (0.36) ARADORA3HSD11B1AKR1C3MEN1
SCHEMBL5323806 0.72 ALDH1A1 (0.35) ALDH1A1CREBBPBRD4EP300SMN1; SMN2
SCHEMBL9818019 0.72 IDO1 (0.61) ALDH1A1CYP2C19
Phosphonic Acid SCHEMBL4427162 0.71 BRD4 (0.42) ALDH1A1TSHRMAPTCREBBPBRD4
SCHEMBL157619 0.70 BRD4 (0.50) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL6247618 0.70 BRD4 (0.50) ALDH1A1MEN1KMT2AGAAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008124505-A2 SOLUBLE GUANYLATE CYCLASE (SGC) MODULATORS FOR TREATMENT OF LIPID RELATED DISORDERS IRONWOOD PHARMACEUTICALS,INC. (US) 2008-10-16 WO claimed
US-20200113968-A1 AGONISTS OF GUANYLATE CYCLASE USEFUL FOR DOWNREGULATION OF PRO-INFLAMMATORY CYTOKINES BAUSCH HEALTH IRELAND LTD (IE) 2020-04-16 US disclosed
US-10597424-B2 Agonists of guanylate cyclase and their uses BAUSCH HEALTH IRELAND LIMITED (IE) 2020-03-24 US disclosed
CN-105963676-B Agonists of guanylate cyclase for the treatment of hypercholesterolemia, atherosclerosis, coronary heart disease, gallstones, obesity and other cardiovascular diseases 药物协和股份有限公司 2020-02-18 CN disclosed
US-20190263861-A1 AGONISTS OF GUANYLATE CYCLASE AND THEIR USES JPMORGAN CHASE BANK, N.A. 2019-08-29 US disclosed
US-20190262420-A1 COMPOSITIONS USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS SYNERGY PHARMACEUTICALS INC (US) 2019-08-29 US disclosed
US-10238712-B2 Compositions useful for the treatment of gastrointestinal disorders SYNERGY PHARMACEUTICALS, INC. (US) 2019-03-26 US disclosed
US-10118946-B2 Agonists of guanylate cyclase and their uses SYNERGY PHARMACEUTICALS INC. (US) 2018-11-06 US disclosed
EP-3357502-A1 AGONISTS OF GUANYLATE CYCLASE USEFUL FOR THE TREATMENT OF COLON CANCER Synergy Pharmaceuticals Inc. (US) 2018-08-08 EP disclosed
US-20170349630-A1 AGONISTS OF GUANYLATE CYCLASE AND THEIR USES JPMORGAN CHASE BANK, N.A. 2017-12-07 US disclosed
US-20110160225-A1 COMPOSITIONS AND METHODS OF USE FOR TREATING OR PREVENTING LIPID RELATED DISORDERS IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-30 US disclosed
WO-2011069038-A2 AGONISTS OF GUANYLATE CYCLASE USEFUL FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA, ATHEROSCLEROSIS, CORONARY HEART DISEASE, GALLSTONE, OBESITY AND OTHER CARDIOVASCULAR DISEASES SYNERGY PHARMACEUTICALS, INC. (US) 2011-06-09 WO disclosed
US-20100215779-A1 Compositions and Methods for Treating Disorders Associated with Salt or Fluid Retention IRONWOOD PHARMACEUTICALS, INC. 2010-08-26 US disclosed
US-20100152118-A1 AGONISTS OF GUANYLATE CYCLASE USEFUL FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA, ATHEROSCLEROSIS, CORONARY HEART DISEASE, GALLSTONE, OBESITY AND OTHER CARDIOVASCULAR DISEASES SYNERGY PHARMACEUTICALS, INC. (US) 2010-06-17 US disclosed
US-20100144864-A1 SOLUBLE GUANYLATE CYCLASE (SGC) MODULATORS FOR TREATMENT OF LIPID RELATED DISORDERS IRONWOOD PHARMACEUTICALS, INC. (US) 2010-06-10 US disclosed
EP-2152266-A1 COMPOSITIONS AND METHODS FOR TREATING DISORDERS ASSOCIATED WITH SALT OR FLUID RETENTION Ironwood Pharmaceuticals, Inc. (US) 2010-02-17 EP disclosed
US-20090054450-A1 COMPOSITIONS AND METHODS OF USE FOR TREATING OR PREVENTING LIPID RELATED DISORDERS IRONWOOD PHARMACEUTICALS, INC. (US) 2009-02-26 US disclosed
WO-2008157537-A2 COMPOSITIONS AND METHODS OF USE FOR TREATING OR PREVENTING LIPID RELATED DISORDERS IRONWOOD PHARMACEUTICALS, INC (US) 2008-12-24 WO disclosed
WO-2008137318-A1 COMPOSITIONS AND METHODS FOR TREATING DISORDERS ASSOCIATED WITH SALT OR FLUID RETENTION IRONWOOD PHARMACEUTICALS, INC. (US) 2008-11-13 WO disclosed
WO-2008124505-A2 SOLUBLE GUANYLATE CYCLASE (SGC) MODULATORS FOR TREATMENT OF LIPID RELATED DISORDERS IRONWOOD PHARMACEUTICALS,INC. (US) 2008-10-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10238712-B2 Compositions useful for the treatment of gastrointestinal disorders GUCY1A1, TNF, GUCY1A2 AR 3460/4885ADORA3 132/4885HSD11B1 1889/4885
US-20190262420-A1 COMPOSITIONS USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS GUCY1A1, TNF, GUCY1A2 AR 3460/4885ADORA3 132/4885HSD11B1 1889/4885
US-20200113968-A1 AGONISTS OF GUANYLATE CYCLASE USEFUL FOR DOWNREGULATION OF PRO-INFLAMMATORY CYTOKINES GUCY1A1, GUCY1A2, GUCY1B2 AR 3850/4885ADORA3 538/4885HSD11B1 974/4885
US-20100144864-A1 SOLUBLE GUANYLATE CYCLASE (SGC) MODULATORS FOR TREATMENT OF LIPID RELATED DISORDERS GUCY1A2, GUCY1B2, GUCY1B1 AR 4439/4885ADORA3 2932/4885HSD11B1 268/4885
US-20110160225-A1 COMPOSITIONS AND METHODS OF USE FOR TREATING OR PREVENTING LIPID RELATED DISORDERS LIPC, PNLIP, LIPA AR 3759/4885ADORA3 2883/4885HSD11B1 114/4885
US-20090054450-A1 COMPOSITIONS AND METHODS OF USE FOR TREATING OR PREVENTING LIPID RELATED DISORDERS LIPC, PNLIP, LIPA AR 3759/4885ADORA3 2883/4885HSD11B1 114/4885
US-20100215779-A1 Compositions and Methods for Treating Disorders Associated with Salt or Fluid Retention SLC10A2, SLC10A1, SLC26A3 AR 4282/4885ADORA3 1239/4885HSD11B1 336/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.