SCHEMBL941528

SCHEMBL941528

CCOC(=O)C(=O)Nc1scc(C)c1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
PKM P14618 1/20 0.47
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.42
GPR35 Q9HC97 3/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.40
ATM Q13315 1/20 0.40
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
GAA P10253 3/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL1930005 0.78 EPHB4 (0.40) ALDH1A1PKMADRA2AADRA2BADRA2C
SCHEMBL16246364 0.77 PTK2 (0.49) ALDH1A1KMT2AMAPTRAB9AMEN1
SCHEMBL20014923 0.77 MAPK1 (0.58) ALDH1A1ADRA2AADRA2BADRA2CKMT2A
SCHEMBL26295499 0.75 EPHB4 (0.39) ALDH1A1ADRA2AADRA2BADRA2CKMT2A
SCHEMBL161766 0.74 PTK2 (0.59) ALDH1A1PKMKMT2AMAPTNPC1
SCHEMBL14585671 0.73 ADRA2A (0.36) ALDH1A1ADRA2AADRA2BADRA2CKMT2A
SCHEMBL8289712 0.72 KDM4E (0.67) ALDH1A1KMT2AMAPTRAB9AMEN1
SCHEMBL8288671 0.72 MAPT (0.67) ALDH1A1KMT2AMAPTRAB9AMEN1
SCHEMBL27558689 0.72 GSTO1 (0.63) ALDH1A1PKMKMT2AMAPTNPC1
SCHEMBL11535902 0.72 GPR35 (0.68) ALDH1A1KMT2AMAPTGPR35NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009435-A1 HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER, INC. (US) 2011-01-13 US disclosed
US-20110009435-A1 HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER, INC. (US) 2011-01-13 US disclosed
US-20110009435-A1 HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER, INC. (US) 2011-01-13 US disclosed
EP-2170843-A1 HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS Pfizer Inc. (US) 2010-04-07 EP disclosed
WO-2008149191-A1 HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC. (US) 2008-12-11 WO disclosed
WO-2008149191-A1 HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC. (US) 2008-12-11 WO disclosed
US-4159377-A ANTIALLERGENS MEAD JOHNSON & COMPANY (US) 1979-06-26 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 (1 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-20110009435-A1 HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS CNR2, CYP2C9, CYP2C8 ALDH1A1 944/4885PKM 1217/4885ADRA2A 845/4885

“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.