SCHEMBL14878114

SCHEMBL14878114

CCCc1cc(CO)cc(CS)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ PTGS2 P35354 3/20 0.33
▸ GPR84 Q9NQS5 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ LPL P06858 1/20 0.33
▸ LIPG Q9Y5X9 1/20 0.33
▸ HTT P42858 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ DAO P14920 1/20 0.31
▸ PRKCA P17252 1/20 0.31
▸ PRKCD Q05655 1/20 0.31
▸ ACVRL1 P37023 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ IDO1 P14902 1/20 0.30

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
SCHEMBL9220960 0.89 ACHE (0.43) CNR1CNR2ACHEPTGS2GPR84
SCHEMBL12482033 0.83 ACHE (0.48) ACHEIDO1
SCHEMBL16957078 0.82 CNR1 (0.39) CNR1CNR2ACHEPTGS2GPR84
SCHEMBL16957772 0.80 HPGD (0.52) CNR1CNR2ACHEPTGS2GPR84
SCHEMBL16956257 0.80 PGK1 (0.39) CNR1CNR2ACHEPTGS2GPR84
SCHEMBL19619234 0.78 NPC1 (0.33) CNR1CNR2GPR84NPC1RAB9A
SCHEMBL16955785 0.78 CYP4F2 (0.46) CNR1CNR2ACHEPTGS2GPR84
SCHEMBL16951951 0.78 POLB (0.37) CNR1CNR2ACHEPTGS2GPR84
SCHEMBL16950352 0.78 CNR1 (0.36) CNR1CNR2ACHEPTGS2GPR84
SCHEMBL16952302 0.78 CNR2 (0.37) CNR1CNR2ACHEPTGS2GPR84

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
US-9550787-B2 Benzodiazepine derivatives IMMUNOGEN, INC. (US) 2017-01-24 — — US disclosed
US-20160222013-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2016-08-04 — — US disclosed
US-20150030616-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2015-01-29 — — US disclosed
US-8809320-B2 Benzodiazepine derivatives IMMUNOGEN, INC. (US) 2014-08-19 — — US disclosed
US-8802667-B2 Benzodiazepine derivatives IMMUNOGEN, INC. (US) 2014-08-12 — — US disclosed
US-20130302357-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2013-11-14 — — US disclosed
US-20130266596-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2013-10-10 — — US disclosed
US-8426402-B2 Benzodiazepine derivatives IMMUNOGEN, INC. (US) 2013-04-23 — — US disclosed
US-20100203007-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN INC. (US) 2010-08-12 — — 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 (5 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-20130266596-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 CNR1 16/4885CNR2 19/4885ACHE 3610/4885
US-20160222013-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 CNR1 16/4885CNR2 19/4885ACHE 3610/4885
US-20100203007-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 CNR1 16/4885CNR2 19/4885ACHE 3610/4885
US-20150030616-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 CNR1 16/4885CNR2 19/4885ACHE 3610/4885
US-20130302357-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 CNR1 16/4885CNR2 19/4885ACHE 3610/4885

“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.

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