SCHEMBL508731

SCHEMBL508731

Cc1n[nH]c(CC(=O)O)c1Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.41
KCNH2 Q12809 1/20 0.40
MAPT P10636 1/20 0.38
THRA P10827 7/20 0.36
THRB P10828 7/20 0.36
PPARG P37231 2/20 0.36
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36
RXRA P19793 1/20 0.36
GRK6 P43250 1/20 0.34
LPAR2 Q9HBW0 1/20 0.33
ENPP3 O14638 1/20 0.33
ALPL P05186 1/20 0.33
ENPP1 P22413 1/20 0.33
XIAP P98170 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
SCHEMBL10254128 0.89 P2RX7 (0.41) P2RX7KCNH2MAPTENPP3ALPL
SCHEMBL14599716 0.86 KCNH2 (0.40) P2RX7KCNH2MAPTENPP3ALPL
SCHEMBL508668 0.81 HPGD (0.42) MAPT
SCHEMBL4772293 0.81 KCNH2 (0.53) KCNH2THRATHRBPPARGITGB3
SCHEMBL5231467 0.80 KCNH2 (0.43) P2RX7KCNH2MAPTENPP3ALPL
SCHEMBL5225140 0.80 KMT2A (0.47)
SCHEMBL508179 0.79 KCNH2 (0.42) P2RX7KCNH2MAPTENPP3ALPL
Bromide SCHEMBL509049 0.79 KCNH2 (0.42) P2RX7KCNH2MAPTENPP3ALPL
SCHEMBL5619683 0.78 ROCK1 (0.41)
SCHEMBL5224371 0.78 KCNH2 (0.44) P2RX7KCNH2MAPTENPP3ALPL

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1762567-B1 Pyrazole derivatives for treating HIV PFIZER LTD (GB) 2012-05-02 EP disclosed
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 US disclosed
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 US disclosed
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 US disclosed
US-8063044-B2 Pyrazole derivatives PFIZER INC. (US) 2011-11-22 US disclosed
US-8063044-B2 Pyrazole derivatives PFIZER INC. (US) 2011-11-22 US disclosed
US-8063044-B2 Pyrazole derivatives PFIZER INC. (US) 2011-11-22 US disclosed
US-20090215712-A1 PYRAZOLE DERIVATIVES PFIZER INC 2009-08-27 US disclosed
US-20090215712-A1 PYRAZOLE DERIVATIVES PFIZER INC 2009-08-27 US disclosed
US-20090215712-A1 PYRAZOLE DERIVATIVES PFIZER INC 2009-08-27 US disclosed
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP disclosed
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP disclosed
EP-1762567-A1 Pyrazole derivatives for treating HIV Pfizer Limited (GB) 2007-03-14 EP disclosed
US-7157468-B2 Pyrazole derivatives PFIZER INC. (US) 2007-01-02 US disclosed
US-7157468-B2 Pyrazole derivatives PFIZER INC. (US) 2007-01-02 US disclosed
US-7157468-B2 Pyrazole derivatives PFIZER INC. (US) 2007-01-02 US disclosed
US-7109228-B2 Pyrazole derivatives AGOURON PHARMACEUTICALS, INC. (US) 2006-09-19 US disclosed
US-20060020012-A1 Pyrazole derivatives PFIZER INC 2006-01-26 US disclosed
US-20050004129-A1 Pyrazole derivatives PFIZER, INC. 2005-01-06 US disclosed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 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 (5 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-20090215712-A1 PYRAZOLE DERIVATIVES RRM2B, REV1, RRM2 P2RX7 1190/4885KCNH2 3441/4885MAPT 2220/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 P2RX7 1381/4885KCNH2 3304/4885MAPT 2163/4885
US-20050004129-A1 Pyrazole derivatives RTF1, RRM2B, RRM2 P2RX7 837/4885KCNH2 2921/4885MAPT 2597/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD P2RX7 1810/4885KCNH2 3548/4885MAPT 1474/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 P2RX7 2065/4885KCNH2 3503/4885MAPT 2150/4885

“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.