SCHEMBL980266

SCHEMBL980266

COC(=O)c1ccc2oc(-c3ccccc3)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.56
MAOB P27338 1/20 0.55
HDAC6 Q9UBN7 2/20 0.53
FFAR1 O14842 1/20 0.52
IDO1 P14902 3/20 0.49
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
THRB P10828 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
NFKB1 P19838 1/20 0.47
NPY1R P25929 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
KMT2A Q03164 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL6485304 0.93 TNKS (0.57) TNKSHDAC6TP53POLBTHRB
SCHEMBL978655 0.89 HDAC6 (0.68) TNKSMAOBHDAC6KDM4EMEN1
SCHEMBL979282 0.86 APP (0.58) TNKSMAOBHDAC6TP53THRB
SCHEMBL6709151 0.86 RAB9A (0.54) TNKSHDAC6IDO1TP53POLB
SCHEMBL976844 0.85 HDAC6 (0.64) MAOBHDAC6FFAR1TP53THRB
SCHEMBL9510159 0.85 TNKS (0.59) TNKSMAOBHDAC6FFAR1TP53
SCHEMBL981462 0.84 CYP19A1 (0.64) TNKSMAOBHDAC6KDM4EMEN1
SCHEMBL3981377 0.84 TNKS (0.69) TNKSMAOBHDAC6TP53KDM4E
SCHEMBL977340 0.83 FFAR1 (0.58) TNKSMAOBHDAC6FFAR1IDO1
SCHEMBL6709258 0.83 FFAR1 (0.56) TNKSMAOBHDAC6FFAR1TP53

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110386909-B Method for synthesizing benzofuran derivative through copper-free ligand-free palladium catalyst 中国科学院青岛生物能源与过程研究所 2023-07-07 CN disclosed
CN-110386909-A A method of benzofuran derivatives are synthesized by no copper catalysis of ligand-free palladium agent 中国科学院青岛生物能源与过程研究所 2019-10-29 CN disclosed
CN-107383024-B The class compound of fused tricyclic containing imidazoles and its application 广州必贝特医药技术有限公司 2018-06-08 CN disclosed
CN-107383024-A The class compound of fused tricyclic containing imidazoles and its application 广州必贝特医药技术有限公司 2017-11-24 CN disclosed
US-20110021540-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 ASTRAZENECA AB (SE) 2011-01-27 US disclosed
EP-2217566-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 066 AstraZeneca AB (SE) 2010-08-18 EP disclosed
US-20090281138-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 ASTRAZENECA AB (SE) 2009-11-12 US disclosed
WO-2009064250-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 065 ASTRAZENECA AB (SE) 2009-05-22 WO disclosed
WO-2009064251-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 066 ASTRAZENECA AB (SE) 2009-05-22 WO disclosed
US-20090131468-A1 Bis-(Sulfonylamino) Derivatives in Therapy 065 ASTRAZENECA AB (SE) 2009-05-21 US disclosed
US-7312230-B2 Carboxylic acid derivatives as IP antagonists ROCHE PALO ALTO LLC (US) 2007-12-25 US disclosed
US-7056903-B2 Carboxylic acid derivatives as IP antagonists SYNTEX (U.S.A.) LLC (US) 2006-06-06 US disclosed
US-20060035870-A1 2-[4-(1H-Indol-4-yloxymethyl)-benzyloxycarbonylamino]-3-phenyl-propionic acid; 3-Phenyl-2-[4-(quinolin-5-yloxymethyl)-benzyloxycarbonylamino]-propionic acid; urinary tract, pain, inflammation, respiratory states, edema formation, or hypotensive vascular diseases COURNOYER RICHARD L 2006-02-16 US disclosed
US-6693098-B2 CARBOXYLIC ACID OR TETRAZOLE DERIVATIVES CONTAINING CARBAMATE GROUPS ARE USEFUL FOR TREATING THE CONDITIONS ASSOCIATED WITH THE URINARY TRACT, PAIN, INFLAMMATION, RESPIRATORY STATES, EDEMA FORMATION OF HYPOTENSIVE VASCULAR DISEASES SYNTEX (U.S.A) LLC 2004-02-17 US disclosed
US-20030220367-A1 Carboxylic acid derivatives as IP antagonists COURNOYER RICHARD LEO (US) 2003-11-27 US disclosed
EP-1265853-A1 CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2002-12-18 EP disclosed
US-20010056100-A1 Carboxylic acid derivatives as IP antagonists SYNTEX (U.S.A.) LLC 2001-12-27 US disclosed
WO-2001068591-A1 CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-09-20 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-20090131468-A1 Bis-(Sulfonylamino) Derivatives in Therapy 065 PTGER1, CYP3A5, SULT1E1 TNKS 1951/4885MAOB 406/4885HDAC6 3409/4885
US-20090281138-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 CYP2D6, PTGER1, CYP2B6 TNKS 1936/4885MAOB 337/4885HDAC6 3831/4885
US-20060035870-A1 2-[4-(1H-Indol-4-yloxymethyl)-benzyloxycarbonylamino]-3-phenyl-propionic acid; 3-Phenyl-2-[4-(quinolin-5-yloxymethyl)-benzyloxycarbonylamino]-propionic acid; urinary tract, pain, inflammation, respiratory states, edema formation, or hypotensive vascular diseases AGTR1, AGTR2, PTGIR TNKS 2641/4885MAOB 2962/4885HDAC6 3468/4885
US-20030220367-A1 Carboxylic acid derivatives as IP antagonists GABRP, GPBAR1, FFAR1 TNKS 3737/4885MAOB 1652/4885HDAC6 2128/4885
US-20010056100-A1 Carboxylic acid derivatives as IP antagonists GABRP, GPBAR1, FFAR1 TNKS 3705/4885MAOB 1817/4885HDAC6 2259/4885
US-20110021540-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 CYP2D6, PTGER1, CYP2B6 TNKS 1936/4885MAOB 337/4885HDAC6 3831/4885

“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.