SCHEMBL15465181

SCHEMBL15465181

COC(=O)c1cccc(-n2c(C(F)(F)F)nc3ccc(F)c(F)c32)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
RAB9A P51151 2/20 0.45
POLB P06746 1/20 0.45
MYC P01106 1/20 0.38
TSHR P16473 3/20 0.38
ACSS2 Q9NR19 2/20 0.34
TP53 P04637 1/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
SDHB P21912 1/20 0.34
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
MET P08581 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL1707974 0.81 MAPK1 (0.47) ALDH1A1RAB9APOLBMYCTSHR
SCHEMBL1708403 0.76 ALDH1A1 (0.44) ALDH1A1RAB9APOLBMYCACSS2
SCHEMBL1708022 0.72 ALDH1A1 (0.48) ALDH1A1RAB9APOLBMYCTSHR
SCHEMBL1708045 0.70 ALDH1A1 (0.51) ALDH1A1RAB9APOLBMYCTSHR
SCHEMBL1708107 0.69 TSHR (0.46) ALDH1A1RAB9APOLBMYCTSHR
SCHEMBL1708099 0.68 ALDH1A1 (0.46) ALDH1A1RAB9APOLBMYCTSHR
SCHEMBL1708054 0.67 ALDH1A1 (0.48) ALDH1A1RAB9APOLBMYCTSHR
SCHEMBL1708108 0.67 POLB (0.53) ALDH1A1RAB9APOLBMYCTSHR
SCHEMBL1708635 0.65 ALDH1A1 (0.46) ALDH1A1RAB9APOLBMYCTSHR
SCHEMBL1708100 0.65 RAB9A (0.51) ALDH1A1RAB9APOLBMYCTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2880028-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2020-09-30 EP disclosed
EP-2880028-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2020-09-30 EP disclosed
US-9527875-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME CORP. (US) 2016-12-27 US disclosed
US-9527875-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME CORP. (US) 2016-12-27 US disclosed
US-9527875-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME CORP. (US) 2016-12-27 US disclosed
US-20150191495-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2015-07-09 US disclosed
US-20150191495-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2015-07-09 US disclosed
US-20150191495-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2015-07-09 US disclosed
US-20140045746-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2014-02-13 US disclosed
US-20140045746-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2014-02-13 US disclosed
US-20140045746-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2014-02-13 US disclosed
WO-2014022528-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2014-02-06 WO disclosed
WO-2014019186-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2014-02-06 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 (2 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-20140045746-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS GPR119, GPR65, GPR52 ALDH1A1 3081/4885RAB9A 3671/4885POLB 4609/4885
US-20150191495-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS GPR119, GPR65, GPR52 ALDH1A1 3081/4885RAB9A 3671/4885POLB 4609/4885

“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.