SCHEMBL15528792

SCHEMBL15528792

COC(=O)c1ccc(C(C)(C)C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
TDP1 Q9NUW8 1/20 0.52
CA12 O43570 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
MAPT P10636 3/20 0.52
LMNA P02545 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TSHR P16473 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ATM Q13315 1/20 0.47
ALDH1A1 P00352 1/20 0.47
NOTUM Q6P988 2/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
MAPK1 P28482 1/20 0.45
HTT P42858 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
SCHEMBL2549591 0.85 CA1 (0.55) CA1CA2TDP1CA12CA7
SCHEMBL8336883 0.85 CA1 (0.55) CA1CA2TDP1CA12CA7
SCHEMBL1019905 0.84 HSD11B1 (0.50) CA1CA2TDP1CA12CA7
SCHEMBL8928305 0.83 CA1 (0.53) CA1CA2TDP1CA12CA7
SCHEMBL5360433 0.83 CA1 (0.53) CA1CA2TDP1CA12CA7
SCHEMBL385370 0.82 LMNA (0.60) CA1CA2TDP1CA12CA7
SCHEMBL1033729 0.81 MLYCD (0.61) CA1CA2TDP1CA12CA7
SCHEMBL14488091 0.81 NOTUM (0.57) CA1CA2TDP1CA12CA7
Ammonia Solution, Strong SCHEMBL27316369 0.81 LMNA (0.59) CA1CA2TDP1CA12CA7
SCHEMBL12489762 0.81 MAPT (0.47) CA1CA2TDP1CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3280419-B1 INDAZOLE AND AZAINDAZOLE BTK INHIBITORS MERCK SHARP & DOHME (US) 2019-10-30 EP disclosed
US-10246457-B2 Indazole and azaindazole Btk inhibitors MERCK SHARP & DOHME CORP. (US) 2019-04-02 US disclosed
US-20180127411-A1 INDAZOLE AND AZAINDAZOLE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-10 US disclosed
EP-3280419-A1 INDAZOLE AND AZAINDAZOLE BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-02-14 EP disclosed
WO-2016164285-A1 INDAZOLE AND AZAINDAZOLE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-10-13 WO disclosed
US-9447069-B2 ROR modulators and their uses INNOV17 LLC (US) 2016-09-20 US disclosed
US-20150099779-A1 ROR MODULATORS AND THEIR USES INNOV17 LLC 2015-04-09 US disclosed
EP-2844260-A1 ROR MODULATORS AND THEIR USES Gaweco, Anderson (US) 2015-03-11 EP disclosed
WO-2013166015-A1 ROR MODULATORS AND THEIR USES GAWECO ANDERSON (US) 2013-11-07 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 (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-20180127411-A1 INDAZOLE AND AZAINDAZOLE BTK INHIBITORS BTK, SYK, ABL1 CA1 4695/4885CA2 3360/4885TDP1 691/4885
US-10246457-B2 Indazole and azaindazole Btk inhibitors BTK, SYK, ABL1 CA1 4695/4885CA2 3360/4885TDP1 691/4885
US-20150099779-A1 ROR MODULATORS AND THEIR USES RORB, RORA, RORC CA1 1628/4885CA2 2083/4885TDP1 4728/4885

“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.