SCHEMBL509533

SCHEMBL509533

CC(C(=O)O)c1cn[nH]c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.42
PTGS2 P35354 12/20 0.41
PTGS1 P23219 10/20 0.39
AKR1C3 P42330 5/20 0.39
AKR1C2 P52895 4/20 0.39
CXCR1 P25024 4/20 0.39
CXCR2 P25025 4/20 0.39
LMNA P02545 4/20 0.39
SLC22A6 Q4U2R8 3/20 0.39
PMP22 Q01453 3/20 0.39
CYP2C9 P11712 2/20 0.39
TSHR P16473 2/20 0.39
CXCL8 P10145 2/20 0.39
ALB P02768 1/20 0.39
ESR1 P03372 1/20 0.39
ALOX5 P09917 1/20 0.39
RARB P10826 1/20 0.39
ADRB3 P13945 1/20 0.39
NFKB1 P19838 1/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL2583496 0.82 NOS2 (0.45) NOS2LMNAPMP22KCNH2APEX1
SCHEMBL28188367 0.76 NOS2 (0.35) NOS2LMNAPMP22KCNH2APEX1
SCHEMBL27166511 0.76 ATM (0.37) NOS2LMNAPMP22KCNH2APEX1
SCHEMBL84454 0.73
SCHEMBL1560439 0.72 AKT2 (0.41) LMNAMAPK1
SCHEMBL6344963 0.72
Hydrochloric Acid SCHEMBL20897673 0.72
SCHEMBL24868068 0.70
SCHEMBL18291459 0.70 KCNH2 (0.42) NOS2LMNAPMP22KCNH2APEX1
SCHEMBL20372937 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2528901-B9 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2017-01-25 EP disclosed
EP-2528901-B1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2015-05-27 EP disclosed
US-8791272-B2 Pyrazole compounds as CRTH2 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-29 US disclosed
EP-2528901-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-12-05 EP disclosed
US-20120028938-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
WO-2011092140-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 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 (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-20120028938-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS HRH2, HRH1, HRH3 NOS2 3952/4885PTGS2 242/4885PTGS1 463/4885

“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.