Sugi Predict

Sugi Predict / Compounds / SCHEMBL3073519

SCHEMBL3073519

SCHEMBL3073519

Cc1ccccc1[C@H](C)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.52
▸ GAA P10253 1/20 0.46
▸ TSHR P16473 3/20 0.45
▸ ACHE P22303 1/20 0.45
▸ ACP3 P15309 1/20 0.44
▸ GABRA1 P14867 2/20 0.42
▸ GABRB2 P47870 2/20 0.42
▸ SLC6A2 P23975 3/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ FAAH O00519 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ GABRB1 P18505 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ GABRB3 P28472 1/20 0.39

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
SCHEMBL231827 1.00 ESR1 (0.52) ESR1GAATSHRACHEACP3
SCHEMBL342736 1.00 ESR1 (0.52) ESR1GAATSHRACHEACP3
SCHEMBL13993318 0.86 ESR1 (0.59) ESR1GAATSHRACHEACP3
SCHEMBL30507724 0.83 ESR1 (0.56) ESR1GAATSHRACHEACP3
SCHEMBL5101317 0.83 GABRA1 (0.50) TSHRGABRA1GABRB2SLC6A2CYP3A4
SCHEMBL5101318 0.83 GABRA1 (0.50) TSHRGABRA1GABRB2SLC6A2CYP3A4
SCHEMBL382010 0.83 GABRA1 (0.50) TSHRGABRA1GABRB2SLC6A2CYP3A4
SCHEMBL14040083 0.82 ESR1 (0.50) ESR1GAATSHRACHEACP3
SCHEMBL17446315 0.82 ESR1 (0.50) ESR1GAATSHRACHEACP3
SCHEMBL6055139 0.82 ESR1 (0.50) ESR1GAATSHRACHEACP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10683269-B2 2-cyanoisoindoline derivatives for treating cancer MISSION THERAPEUTICS LIMITED (GB) 2020-06-16 — — US disclosed
WO-2017158388-A1 2-CYANOISOINDOLINE DERIVATIVES FOR TREATING CANCER MISSION THERAPEUTICS LIMITED (GB) 2017-09-21 — — WO disclosed
US-8735398-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-27 — — US disclosed
US-20130085147-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 — — US disclosed
US-8334405-B2 Chiral thiourea compounds and process for enantioselective reduction of ketones BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-12-18 — — US disclosed
US-8334405-B2 Chiral thiourea compounds and process for enantioselective reduction of ketones BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-12-18 — — US disclosed
US-8334405-B2 Chiral thiourea compounds and process for enantioselective reduction of ketones BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-12-18 — — US disclosed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 — — US disclosed
CN-102000606-A Chiral ruthenium catalyst and use thereof in asymmetric hydrogenation of ketone LANZHOU CHEM PHYS INST 2011-04-06 — — CN disclosed
US-7790882-B2 Monophosphine compound, transition metal complex thereof and production method of optically active compound using the complex as asymmetric catalyst Carreira, Erick M. (CH) 2010-09-07 — — US disclosed
WO-2005021529-A1 BIPYRIDYL AMINES AND ETHERS AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO., INC. (US) 2005-03-10 — — WO disclosed
US-20040152736-A1 Thrombin receptor antagonists TOPROL ACQUISITION LLC 2004-08-05 — — US disclosed
EP-0901997-B1 Process for producing optically active alcohol compound TAKASAGO PERFUMERY CO LTD (JP) 2002-07-31 — — EP disclosed
US-6365398-B1 REACTING RACEMIC CARBOXYLIC ACID ESTER WITH RACEMIC ALCOHOL IN PRESENCE OF A CARBOXYL ESTER HYDROLASE BASF AKTIENGESELLSCHAFT (DE) 2002-04-02 — — US disclosed
US-6211234-B1 BENZONITRILE COMPOUNDS WITH ETHER AND SULFIDE GROUPS WITH CARBOXY ACID RHONE-POULENC RORER LIMITED (GB) 2001-04-03 — — US disclosed
EP-1031629-A2 Method of preparation of stereoisomeric carboxylic acid esters BASF AKTIENGESELLSCHAFT (DE) 2000-08-30 — — EP disclosed
EP-0901997-A1 Process for producing optically active alcohol compound Takasago International Corporation (JP) 1999-03-17 — — EP disclosed
EP-0728128-B1 SUBSTITUTED PHENYL COMPOUNDS RHONE POULENC RORER LTD (GB) 1998-09-16 — — EP disclosed
EP-0728128-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1996-08-28 — — EP disclosed
WO-1995013262-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1995-05-18 — — 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 (4 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-20110294819-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 ESR1 3678/4885GAA 777/4885TSHR 4457/4885
US-20130085147-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 ESR1 3678/4885GAA 777/4885TSHR 4457/4885
US-20040152736-A1 Thrombin receptor antagonists CNR1, TBXA2R, CNR2 ESR1 732/4885GAA 3988/4885TSHR 97/4885
US-10683269-B2 2-cyanoisoindoline derivatives for treating cancer USP7, USP47, USP2 ESR1 3629/4885GAA 641/4885TSHR 4510/4885

“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.