SCHEMBL3288651

SCHEMBL3288651

COc1ccc2cc(Cc3nc(-c4ccc(Cl)cc4Cl)c[nH]3)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.45
HSP90AA1 P07900 2/20 0.40
HSP90AB1 P08238 2/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DPP4 P27487 4/20 0.38
DPP8 Q6V1X1 3/20 0.38
DPP9 Q86TI2 3/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
CNR1 P21554 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2E1 P05181 1/20 0.38

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
SCHEMBL26108238 0.86 CYP2A6 (0.39) CXCR2HSP90AA1HSP90AB1DPP4CYP2D6
SCHEMBL1480745 0.84 CXCR2 (0.49) CXCR2HSP90AA1HSP90AB1PIK3CAPIK3CB
SCHEMBL31305442 0.83 CXCR2 (0.43) CXCR2HSP90AA1HSP90AB1PIK3CAPIK3CB
SCHEMBL2867224 0.83 CXCR2 (0.43) CXCR2HSP90AA1HSP90AB1PIK3CAPIK3CB
SCHEMBL1676226 0.82 CXCR2 (0.47) CXCR2HSP90AA1HSP90AB1PIK3CAPIK3CB
SCHEMBL26111159 0.82 ADORA2A (0.40) CXCR2HSP90AA1HSP90AB1ADORA2AADORA1
SCHEMBL31305465 0.82 ADORA2A (0.40) CXCR2HSP90AA1HSP90AB1ADORA2AADORA1
SCHEMBL2871603 0.79 CXCR2 (0.45) CXCR2HSP90AA1HSP90AB1DPP4DPP8
SCHEMBL31305515 0.79 CXCR2 (0.45) CXCR2HSP90AA1HSP90AB1DPP4DPP8
SCHEMBL26111366 0.79 HSP90AA1 (0.41) CXCR2HSP90AA1HSP90AB1PIK3CAPIK3CB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404731-B2 Substituted imidazole derivatives, compositions, and methods of use as PTPase inhibitors TRANSTECH PHARMA, INC. (US) 2013-03-26 US disclosed
US-20120196906-A1 Substituted Imidazole Derivatives, Compositions, and Methods of Use as PTPase Inhibitors TRANSTECH PHARMA, INC. (US) 2012-08-02 US disclosed
US-7723369-B2 Substituted imidazole derivatives, compositions, and methods of use as PTPase inhibitors TRANSTECH PHARMA, INC. (US) 2010-05-25 US disclosed
US-20100113331-A1 Substituted Imidazole Derivatives, Compositions, and Methods of Use as PtPase Inhibitors TRANSTECH PHARMA, INC. (US) 2010-05-06 US disclosed
EP-1991544-A2 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS PTPASE INHIBITORS Transtech Pharma, Inc. (US) 2008-11-19 EP disclosed
US-20070191385-A1 Substituted imidazole derivatives, compositions, and methods of use as PTPase inhibitors VTV THERAPEUTICS LLC 2007-08-16 US disclosed
WO-2007089857-A2 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS PTPASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2007-08-09 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 (3 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-20070191385-A1 Substituted imidazole derivatives, compositions, and methods of use as PTPase inhibitors PTP4A1, PTPRJ, PTP4A2 CXCR2 2232/4885HSP90AA1 1031/4885HSP90AB1 569/4885
US-20100113331-A1 Substituted Imidazole Derivatives, Compositions, and Methods of Use as PtPase Inhibitors PTP4A1, PTPRJ, PTP4A2 CXCR2 2232/4885HSP90AA1 1031/4885HSP90AB1 569/4885
US-20120196906-A1 Substituted Imidazole Derivatives, Compositions, and Methods of Use as PTPase Inhibitors PTP4A1, PTPRJ, PTP4A2 CXCR2 2232/4885HSP90AA1 1031/4885HSP90AB1 569/4885

“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.