SCHEMBL509592

SCHEMBL509592

CCOC(=O)Cc1c(CC)nn(C(C)c2ccc(C(=O)O)cc2)c1CC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.54
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.34
GAA P10253 1/20 0.34
RECQL P46063 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
RARG P13631 1/20 0.33
RORC P51449 1/20 0.33
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.33
GABRA1 P14867 1/20 0.33

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
SCHEMBL11247781 0.71 ALDH1A1 (0.52) TSHRHSD17B10L3MBTL1NPSR1TDP1
SCHEMBL10174088 0.70 PTGDR2 (1.00) PTGDR2
SCHEMBL3322641 0.69 RECQL (0.49) PTGDR2MAPK1HSD17B10SMN1; SMN2RECQL
SCHEMBL1194981 0.66 MEN1 (0.56) TSHRHSD17B10L3MBTL1NPSR1TDP1
SCHEMBL6393097 0.65 ALDH1A1 (0.57) USP2MAPK1L3MBTL1TDP1SMN1; SMN2
SCHEMBL508865 0.65 PTGDR2 (0.56) PTGDR2
SCHEMBL3323539 0.65 ALDH1A1 (0.47) USP2TSHRHSD17B10L3MBTL1NPSR1
SCHEMBL14632327 0.65 PTGDR2 (0.55) PTGDR2
SCHEMBL10590696 0.63 SMN1; SMN2 (0.49) TSHRSMN1; SMN2MAPTALDH1A1CYP1A2
SCHEMBL1930303 0.60 ANPEP (0.50) TSHRTDP1SMN1; SMN2MAPTALDH1A1

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
EP-2528901-B9 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2017-01-25 EP disclosed
CN-102884051-B Pyrazole compounds as CRTH2 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-09-16 CN disclosed
CN-104829535-A Pyrazole compounds as CRTH2 antagonists BOEHRINGER INGELHEIM INT 2015-08-12 CN 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
CN-102884051-A Pyrazole compounds as CRTH2 antagonists BOEHRINGER INGELHEIM INT 2013-01-16 CN 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 PTGDR2 29/4885USP2 3511/4885TSHR 292/4885

“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.