SCHEMBL888679

SCHEMBL888679

CC(C)C(=O)c1ccccc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.58
CES1 P23141 3/20 0.58
ALDH1A1 P00352 3/20 0.54
ALOX15 P16050 1/20 0.54
GAA P10253 1/20 0.53
TP53 P04637 1/20 0.51
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 2/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
PTPN1 P18031 1/20 0.44
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
PDK2 Q15119 1/20 0.44
BCHE P06276 1/20 0.43
ADRB2 P07550 1/20 0.43

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
SCHEMBL30081009 0.87 CES2 (0.58) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL7685019 0.85 CES2 (0.61) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL5224837 0.85 CES2 (0.56) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL10308375 0.84 PDK2 (0.46) ALDH1A1ALOX15GAATP53MEN1
SCHEMBL1155548 0.83 CES2 (0.55) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL12780284 0.83 CES2 (0.61) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL11769973 0.83 ALDH1A1 (0.55) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL4596958 0.82 ALB (0.60) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL9017503 0.82 CES2 (0.53) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL19333968 0.80 CES2 (0.51) CES2CES1ALDH1A1ALOX15GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11407732-B1 Tricyclic degraders of Ikaros and Aiolos C4 THERAPEUTICS, INC. (US) 2022-08-09 US disclosed
US-20220162209-A1 SALICYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2022-05-26 US disclosed
US-10752611-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2020-08-25 US disclosed
US-10716788-B2 Methods for treating MS using pyrimidine and pyridine compounds with BTK inhibitory activity MERCK PATENT GMBH (DE) 2020-07-21 US disclosed
US-20200048228-A1 ALVOCIDIB PRODRUGS AND THEIR USE AS PROTEIN KINASE INHIBITORS SUMITOMO PHARMA ONCOLOGY, INC. 2020-02-13 US disclosed
US-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
US-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-20070082908-A1 Bicycle pyrazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-12 US disclosed
US-20070082908-A1 Bicycle pyrazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-12 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
EP-1507757-A1 LACTAMS USED AS ANTI-VIRAL AGENTS Bayer HealthCare AG (DE) 2005-02-23 EP disclosed
EP-1499603-A1 ANTIVIRAL LACTONE-UREAS Bayer Aktiengesellschaft (DE) 2005-01-26 EP disclosed
WO-2003097595-A1 LACTAMS USED AS ANTI-VIRAL AGENTS BAYER HEALTHCARE AG (DE) 2003-11-27 WO disclosed
WO-2003089421-A1 ANTIVIRAL LACTONE-UREAS BAYER HEALTHCARE AG (DE) 2003-10-30 WO disclosed
EP-0273647-B1 COUMARAN DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-03-11 EP disclosed
US-4857516-A Coumaran derivatives and their pharmaceutical use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-08-15 US disclosed
EP-0273647-A1 Coumaran derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-07-06 EP 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 (9 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-10716788-B2 Methods for treating MS using pyrimidine and pyridine compounds with BTK inhibitory activity BTK, LCK, SYK CES2 3380/4885CES1 3123/4885ALDH1A1 4467/4885
US-10017499-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L CES2 417/4885CES1 79/4885ALDH1A1 132/4885
US-20220162209-A1 SALICYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF ADSL, SLC35B2, ADORA1 CES2 2295/4885CES1 1956/4885ALDH1A1 136/4885
US-11407732-B1 Tricyclic degraders of Ikaros and Aiolos CRBN, IKZF1, IKZF3 CES2 2962/4885CES1 2610/4885ALDH1A1 3827/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 CES2 4820/4885CES1 3698/4885ALDH1A1 1079/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS CES2 79/4885CES1 70/4885ALDH1A1 1144/4885
US-20070082908-A1 Bicycle pyrazole derivative DPP4, DPP7, DPP3 CES2 436/4885CES1 79/4885ALDH1A1 86/4885
US-20200048228-A1 ALVOCIDIB PRODRUGS AND THEIR USE AS PROTEIN KINASE INHIBITORS CDK1, CDK2, CDK3 CES2 4214/4885CES1 2437/4885ALDH1A1 3857/4885
US-10752611-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L CES2 417/4885CES1 79/4885ALDH1A1 132/4885

“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.