SCHEMBL2448643

SCHEMBL2448643

COC(=O)C1CC(c2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.53
AKR1C1 Q04828 1/20 0.53
POLB P06746 1/20 0.50
ATM Q13315 1/20 0.49
SLC6A3 Q01959 4/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SLC6A4 P31645 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GRIN2B Q13224 1/20 0.45

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
SCHEMBL11665739 0.90 SLC6A2 (0.54) AKR1C3AKR1C1POLBATMSLC6A3
SCHEMBL3543298 0.89 AKR1C3 (0.69) AKR1C3AKR1C1POLBATMSLC6A3
SCHEMBL24434987 0.89 AKR1C3 (0.69) AKR1C3AKR1C1POLBATMSLC6A3
SCHEMBL28625883 0.85 AKR1C3 (0.78) AKR1C3AKR1C1POLBATMSLC6A3
SCHEMBL26491020 0.85 AKR1C3 (0.61) AKR1C3AKR1C1ATMMEN1KMT2A
SCHEMBL343144 0.84 CHRNB2 (0.47) AKR1C3AKR1C1POLBATMSLC6A3
SCHEMBL343145 0.84 CHRNB2 (0.47) AKR1C3AKR1C1POLBATMSLC6A3
SCHEMBL343146 0.84 CHRNB2 (0.47) AKR1C3AKR1C1POLBATMSLC6A3
SCHEMBL21513698 0.84 LATS1 (0.46) KMT2AALDH1A1
SCHEMBL3540595 0.84 AKR1C3 (0.56) AKR1C3AKR1C1POLBSLC6A3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3102198-B1 ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME (US) 2020-08-26 EP disclosed
US-10059667-B2 Antidiabetic compounds MERCK SHARP & DOHME CORP. (US) 2018-08-28 US disclosed
EP-3102198-A1 ANTIDIABETIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2016-12-14 EP disclosed
US-20160332968-A1 ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME LLC 2016-11-17 US disclosed
US-9120779-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2015-09-01 US disclosed
US-9120779-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2015-09-01 US disclosed
US-9120779-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2015-09-01 US disclosed
WO-2015119899-A1 ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-08-13 WO disclosed
CN-102300462-B Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS INC 2015-01-28 CN disclosed
EP-2774927-A1 Inhibitors of HCV NS5A Presidio Pharmaceuticals, Inc. (US) 2014-09-10 EP disclosed
CN-102300462-A Inhibitors Of Hcv Ns5a 2011-12-28 CN disclosed
EP-2373168-A1 INHIBITORS OF HCV NS5A Presidio Pharmaceuticals, Inc. (US) 2011-10-12 EP disclosed
US-20110237579-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2011-09-29 US disclosed
US-20110237579-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2011-09-29 US disclosed
US-20110237579-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2011-09-29 US disclosed
WO-2010065681-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2010-06-10 WO disclosed
US-4109015-A PROSTAGLANDINS, LUTEOLYTIC IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-08-22 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 (3 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-20160332968-A1 ANTIDIABETIC COMPOUNDS GPR119, GLP1R, GIPR AKR1C3 1594/4885AKR1C1 1568/4885POLB 4817/4885
US-10059667-B2 Antidiabetic compounds GPR119, GLP1R, GIPR AKR1C3 1594/4885AKR1C1 1568/4885POLB 4817/4885
US-20110237579-A1 INHIBITORS OF HCV NS5A MAVS, HAVCR2, EIF2AK2 AKR1C3 4411/4885AKR1C1 4453/4885POLB 2863/4885

“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.