SCHEMBL509273

SCHEMBL509273

COc1cc(C)cc(OS(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
RAPGEF4 Q8WZA2 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
EPAS1 Q99814 1/20 0.37
FFAR4 Q5NUL3 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
ELANE P08246 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA3 P34903 1/20 0.36
ACHE P22303 1/20 0.35
CXCR2 P25025 1/20 0.34
HSD11B1 P28845 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 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
SCHEMBL1713657 0.92 ALDH1A1 (0.48) ALDH1A1CYP1A1CYP1B1CXCR2HSD11B1
SCHEMBL2713479 0.92 EPAS1 (0.41) ALDH1A1EPAS1FFAR4CXCR2HSD11B1
SCHEMBL4430441 0.88 EPAS1 (0.44) ALDH1A1EPAS1FFAR4CXCR2HSD11B1
SCHEMBL3386175 0.85 ALDH1A1 (0.41) ALDH1A1CYP1A1CYP1B1FFAR4ACHE
SCHEMBL7367391 0.84 ADORA2A (0.44) ALDH1A1CYP1A1CYP1B1EPAS1FFAR4
SCHEMBL309328 0.82 ALDH1A1 (0.38) ALDH1A1CYP1A1CYP1B1MAPTCXCR2
SCHEMBL926505 0.82 CA2 (0.41) CXCR2HSD11B1CA1CA2
SCHEMBL10204404 0.81 EPAS1 (0.37) EPAS1FFAR4CXCR2HSD11B1CA1
SCHEMBL4730537 0.81 CYP1A1 (0.47) ALDH1A1CYP1A1CYP1B1KDM4EMAPT
SCHEMBL4174925 0.81 EPAS1 (0.39) ALDH1A1EPAS1

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 23 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-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-20030220495-A1 Inhibitors of farnesyl protein transferase ZENECA LIMITED AND ZENECA PHARMA S.A. 2003-11-27 US disclosed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 US disclosed
US-6414145-B1 TREATING CANCER AND NEUROFIBROMATOSIS ZENECA LIMITED (GB) 2002-07-02 US disclosed
EP-0975603-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE ZENECA LIMITED (GB) 2000-02-02 EP disclosed
WO-1998032741-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE ZENECA LIMITED (GB) 1998-07-30 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 (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 ALDH1A1 1080/4885RAPGEF4 3479/4885CYP1A1 157/4885
US-20030220495-A1 Inhibitors of farnesyl protein transferase KRAS, FNTA, FNTB ALDH1A1 2771/4885RAPGEF4 782/4885CYP1A1 610/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 ALDH1A1 997/4885RAPGEF4 3252/4885CYP1A1 153/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD ALDH1A1 886/4885RAPGEF4 3368/4885CYP1A1 194/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 ALDH1A1 385/4885RAPGEF4 3841/4885CYP1A1 48/4885

“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.