Sugi Predict

Sugi Predict / Compounds / SCHEMBL3425975

SCHEMBL3425975

SCHEMBL3425975

CC=CCCC(=O)CC(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.44
▸ MGAM O43451 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ SI P14410 1/20 0.41
▸ MGAM2 Q2M2H8 1/20 0.41
▸ AKT1 P31749 1/20 0.39
▸ LMNA P02545 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ HSD17B10 Q99714 2/20 0.36
▸ POLB P06746 1/20 0.35
▸ POLA1 P09884 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARD Q03181 1/20 0.33

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
SCHEMBL4998008 1.00 TSHR (0.44) TSHRMGAMGAASIMGAM2
SCHEMBL11600951 1.00 TSHR (0.44) TSHRMGAMGAASIMGAM2
SCHEMBL10049011 0.88 SOAT1 (0.45) TSHRMGAMGAASIMGAM2
SCHEMBL1874937 0.88 SOAT1 (0.45) TSHRMGAMGAASIMGAM2
SCHEMBL1874939 0.88 SOAT1 (0.45) TSHRMGAMGAASIMGAM2
SCHEMBL1759110 0.84 — —
SCHEMBL1759112 0.84 — —
SCHEMBL11801982 0.83 ALDH1A1 (0.47) TSHRMGAMGAASIMGAM2
SCHEMBL11801985 0.83 ALDH1A1 (0.47) TSHRMGAMGAASIMGAM2
SCHEMBL22462728 0.82 GAA (0.52) TSHRMGAMGAASIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3164396-B1 CYCLOHEXEN-1-YL-PYRIDIN-2-YL-1H-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS NOVARTIS AG (CH) 2019-01-16 — — EP disclosed
US-9957254-B2 Cyclohexen-1-yl-pyridin-2-yl-1h-pyrazole-4-carboxylic acid derivatives and the use thereof as soluble guanylate cyclase activators NOVARTIS AG (CH) 2018-05-01 — — US disclosed
US-20170197941-A1 CYCLOHEXEN-1-YL-PYRIDIN-2-YL-1H-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS NOVARTIS AG (CH) 2017-07-13 — — US disclosed
US-20170197941-A1 CYCLOHEXEN-1-YL-PYRIDIN-2-YL-1H-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS NOVARTIS AG (CH) 2017-07-13 — — US disclosed
EP-3164396-A1 CYCLOHEXEN-1-YL-PYRIDIN-2-YL-1H-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS Novartis AG (CH) 2017-05-10 — — EP disclosed
WO-2016001878-A1 CYCLOHEXEN-1-YL-PYRIDIN-2-YL-1H-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS NOVARTIS AG (CH) 2016-01-07 — — WO disclosed
US-9006484-B2 Polymer having bis(diphenylphosphino)binaphthyl groups KYOEISHA CHEMICAL CO., LTD. (JP) 2015-04-14 — — US disclosed
US-20100022800-A1 POLYMER HAVING BIS(DIPHENYLPHOSPHINO)BINAPHTHYL GROUPS KYOEISHA CHEMICAL CO., LTD. (JP) 2010-01-28 — — US disclosed
EP-2050776-A1 POLYMER HAVING BIS(DIPHENYLPHOSPHINO)BINAPHTHYL GROUP Kyoeisha Chemical Co., Ltd. (JP) 2009-04-22 — — EP disclosed
US-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 — — US disclosed
EP-0885215-A1 NOVEL BENZO-1,3-DIOXOLYL- AND BENZOFURANYL SUBSTITUTED PYRROLIDINE DERIVATIVES AS ENDOTHELIN ANTAGONISTS Abbott Laboratories (US) 1998-12-23 — — EP disclosed
WO-1998030609-A1 POLYMERIZATION OF OLEFINS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-07-16 — — WO disclosed
US-5767144-A Endothelin antagonists ABBOTT LABORATORIES (US) 1998-06-16 — — US disclosed
US-5731434-A CARDIOVASCULAR DISORDERS ABBOTT LABORATORIES (US) 1998-03-24 — — US disclosed
EP-0818431-A1 Scavenger assisted combinatorial process for preparing libaries of secondary amine compounds ELI LILLY AND COMPANY (US) 1998-01-14 — — EP disclosed
WO-1997030045-A1 NOVEL BENZO-1,3-DIOXOLYL- AND BENZOFURANYL SUBSTITUTED PYRROLIDINE DERIVATIVES AS ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1997-08-21 — — WO disclosed
EP-0776324-A1 ENDOTHELIN ANTAGONISTS Abbott Laboratories (US) 1997-06-04 — — EP disclosed
US-5622971-A PIPERIDINE DERIVATIVES; HYPOTENSIVE AGENTS ABBOTT LABORATORIES (US) 1997-04-22 — — US disclosed
WO-1996006095-A1 ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1996-02-29 — — WO disclosed
US-4073799-A Process for producing 3-formylcyclopentanone derivatives (ZAIDANHOJIN) SAGAMI CHEMICAL RESEARCH CENTER (JA) 1978-02-14 — — US 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 (2 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-20170197941-A1 CYCLOHEXEN-1-YL-PYRIDIN-2-YL-1H-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1A1, GUCY1A2, GUCY1B2 TSHR 2610/4885MGAM 3293/4885GAA 805/4885
US-20100022800-A1 POLYMER HAVING BIS(DIPHENYLPHOSPHINO)BINAPHTHYL GROUPS PCBP1, PARG, PHOSPHO1 TSHR 3493/4885MGAM 1237/4885GAA 2906/4885

“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.