SCHEMBL508859

SCHEMBL508859

COC(=O)Cc1c(OC)n[nH]c1C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
AR P10275 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 3/20 0.37
HPGD P15428 2/20 0.37
KDM5B Q9UGL1 1/20 0.37
DCTPP1 Q9H773 1/20 0.36
TP53 P04637 2/20 0.36
PDE4D Q08499 1/20 0.35
P2RX7 Q99572 4/20 0.35
ALKBH3 Q96Q83 1/20 0.34
EGFR P00533 1/20 0.34
HTT P42858 2/20 0.34

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
SCHEMBL508982 0.82 AR (0.51) ARMEN1KMT2AKDM4EPDE4D
SCHEMBL27395606 0.79 MAPT (0.41) MAPTARSMN1; SMN2TSHRALDH1A1
SCHEMBL14488098 0.71 MAPT (0.54) MAPTARSMN1; SMN2TSHRALDH1A1
SCHEMBL8707599 0.67 TSHR (0.39) MAPTSMN1; SMN2TSHRALDH1A1GAA
SCHEMBL1227187 0.67 MAPT (0.45) MAPTSMN1; SMN2TSHRALDH1A1GAA
SCHEMBL3587984 0.67 KDM4E (0.48) MAPTSMN1; SMN2TSHRALDH1A1GAA
SCHEMBL509207 0.67 PDE4D (0.56) ARSMN1; SMN2TSHRALDH1A1MEN1
SCHEMBL12042064 0.66 CYP4F2 (0.45) MAPTSMN1; SMN2TSHRALDH1A1GAA
SCHEMBL9381082 0.65 MAPT (0.47) MAPTSMN1; SMN2ALDH1A1GAAMEN1
SCHEMBL12243923 0.64 SLC5A1 (0.52) MAPTARSMN1; SMN2ALDH1A1GAA

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 MAPT 4060/4885AR 983/4885SMN1; SMN2 4161/4885

“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.