SCHEMBL509202

SCHEMBL509202

Cc1n[nH]c(-c2ccccc2)c1CC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
ALDH1A1 P00352 4/20 0.41
LMNA P02545 2/20 0.41
USP2 O75604 2/20 0.40
MAPK1 P28482 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 5/20 0.39
HPGD P15428 3/20 0.39
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
P2RX7 Q99572 1/20 0.36
CHEK1 O14757 1/20 0.36

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
SCHEMBL9609104 0.80 RAB9A (0.43) MTNR1AMTNR1BALDH1A1LMNAUSP2
SCHEMBL508531 0.77 P2RX7 (0.43) LMNAP2RX7
SCHEMBL22784034 0.77 P2RX7 (0.47) ALDH1A1LMNAMAPK1HSD17B10KDM4E
SCHEMBL508150 0.73 HCAR2 (0.38) MTNR1AMTNR1BALDH1A1LMNAMAPK1
SCHEMBL27390233 0.73 HTT (0.53) ALDH1A1LMNAMAPK1KDM4EHTT
SCHEMBL509233 0.72 LMNA (0.55) ALDH1A1LMNAUSP2MAPK1HSD17B10
SCHEMBL9714918 0.71 LMNA (0.54) ALDH1A1LMNAUSP2MAPK1HSD17B10
SCHEMBL27504098 0.70 AKT2 (0.46) ALDH1A1MAPK1HSD17B10KDM4EHPGD
Hydrochloric Acid SCHEMBL9715094 0.70 LMNA (0.53) ALDH1A1LMNAUSP2MAPK1HSD17B10
SCHEMBL27789409 0.70 MAPK1 (0.46) ALDH1A1LMNAMAPK1HSD17B10TSHR

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 MTNR1A 290/4885MTNR1B 171/4885ALDH1A1 763/4885

“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.