Sugi Predict

Sugi Predict / Compounds / SCHEMBL4712192

SCHEMBL4712192

SCHEMBL4712192

COC(=O)c1ccc(C(OC)(OC)P=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 5/20 0.50
▸ CA2 P00918 5/20 0.50
▸ MAPT P10636 5/20 0.50
▸ CA12 O43570 2/20 0.50
▸ CA7 P43166 2/20 0.50
▸ CA9 Q16790 2/20 0.50
▸ CA14 Q9ULX7 2/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ TSHR P16473 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ LOXL2 Q9Y4K0 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ RAB9A P51151 2/20 0.42
▸ ATM Q13315 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ GAA P10253 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ HPGD P15428 1/20 0.42

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
SCHEMBL7751795 0.87 MAPT (0.49) CA1CA2MAPTCA12CA7
Water SCHEMBL22720573 0.78 CA1 (0.76) CA1CA2MAPTCA12CA7
Water SCHEMBL28249729 0.77 CA1 (0.66) CA1CA2MAPTCA12CA7
SCHEMBL28993944 0.76 CA1 (0.80) CA1CA2MAPTCA12CA7
SCHEMBL5177242 0.76 CA1 (0.55) CA1CA2MAPTCA12CA7
SCHEMBL23600 0.76 CA1 (0.80) CA1CA2MAPTCA12CA7
SCHEMBL14263477 0.76 CA1 (0.55) CA1CA2MAPTCA12CA7
SCHEMBL677961 0.75 CA1 (0.59) CA1CA2MAPTCA12CA7
SCHEMBL592406 0.75 CA1 (0.68) CA1CA2MAPTCA12CA7
SCHEMBL2890249 0.75 CA1 (0.59) CA1CA2MAPTCA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176903-A1 Novel Compounds with Analgesic Effect ASTRAZENECA CANADA INC. (CA) 2008-07-24 — — US disclosed
EP-1935869-A1 Retinoids for the treatment of emphysema F. HOFFMANN-LA ROCHE AG (CH) 2008-06-25 — — EP disclosed
US-7312336-B2 Compounds with analgesic effect ASTRAZENECA CANADA INC. (CA) 2007-12-25 — — US disclosed
CN-1321101-C New retinoids for the treatment of emphysema HOFFMANN LA ROCHE CO LTD (CH) 2007-06-13 — — CN disclosed
EP-1395575-B1 4-(PENYL-PIPERIDIN-4-YLIDENE-METHYL)-BENZAMIDE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PAIN, ANXIETY OR GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2006-07-19 — — EP disclosed
US-7022715-B2 4-(phenyl-piperidin-4-ylidene-methyl)-benzamide derivatives and their use for the treatment of pain, anxiety or gastrointestinal disorders ASTRAZENECA AB (SE) 2006-04-04 — — US disclosed
EP-0946511-B1 NOVEL COMPOUNDS WITH ANALGESIC EFFECT ASTRAZENECA AB (SE) 2005-05-25 — — EP disclosed
US-20050004163-A1 3-(diarylmethylene)-8-azabicyclo[3.2.1]octane derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2005-01-06 — — US disclosed
US-6838468-B2 4-(phenyl-piperdin-4-ylidene methyl)-benzamide derivatives and their use for the treatment of pain, anxiety or gastrointestinal disorders ASTRAZENECA AB (SE) 2005-01-04 — — US disclosed
US-20040171612-A1 Novel compounds with analgesic effect ASTRAZENECA CANADA INC. 2004-09-02 — — US disclosed
CN-1468207-A Novel retinoid compounds for the treatment of emphysema - 2004-01-14 — — CN disclosed
US-20030149023-A1 Novel compounds with analgesic effect ASTRAZENECA CANADA INC. 2003-08-07 — — US disclosed
EP-1324970-A2 RETINOIDS FOR THE TREATMENT OF EMPHYSEMA F. HOFFMANN-LA ROCHE AG (CH) 2003-07-09 — — EP disclosed
US-6455545-B2 GASTROINTESTINAL DISORDERS ASTRAZENECA CANADA INC. (CA) 2002-09-24 — — US disclosed
US-20020082265-A1 For treating or preventing emphysema, cancer and dermatological disorders SYNTEX (U.S.A.) LLC 2002-06-27 — — US disclosed
WO-2002028810-A2 RETINOIDS FOR THE TREATMENT OF EMPHYSEMA F. HOFFMANN-LA ROCHE AG (CH) 2002-04-11 — — WO disclosed
US-20010021715-A1 Novel compounds with analgesic effect ASTRA PHARMA INC. 2001-09-13 — — US disclosed
US-6187792-B1 PIPERIDIN-4-METHYLIDENE-4-BENZAMIDE DERIVATIVES; OPOID RECEPTOR ANTAGONISTS; CANCER PAIN ASTRA PHARMA INC. (CA) 2001-02-13 — — US disclosed
EP-0946511-A1 NOVEL COMPOUNDS WITH ANALGESIC EFFECT Astra Pharma Inc. (CA) 1999-10-06 — — EP disclosed
WO-1998028275-A1 NOVEL COMPOUNDS WITH ANALGESIC EFFECT ASTRA PHARMA INC. (CA) 1998-07-02 — — 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 (6 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-20050004163-A1 3-(diarylmethylene)-8-azabicyclo[3.2.1]octane derivatives OPRD1, OPRM1, OPRK1 CA1 3532/4885CA2 3416/4885MAPT 2738/4885
US-20020082265-A1 For treating or preventing emphysema, cancer and dermatological disorders RXRA, RXRG, RXRB CA1 4621/4885CA2 4052/4885MAPT 3519/4885
US-20010021715-A1 Novel compounds with analgesic effect OPRL1, OPRK1, OPRM1 CA1 1270/4885CA2 866/4885MAPT 3149/4885
US-20030149023-A1 Novel compounds with analgesic effect OPRL1, OPRK1, OPRM1 CA1 1270/4885CA2 866/4885MAPT 3149/4885
US-20080176903-A1 Novel Compounds with Analgesic Effect OPRL1, OPRK1, OPRM1 CA1 1465/4885CA2 660/4885MAPT 2456/4885
US-20040171612-A1 Novel compounds with analgesic effect OPRL1, OPRK1, OPRM1 CA1 1270/4885CA2 866/4885MAPT 3149/4885

“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.