SCHEMBL3289934

SCHEMBL3289934

Clc1ccc(-c2c[nH]c(Cc3ccc(I)cc3)n2)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 6/20 0.40
HSP90AA1 P07900 2/20 0.39
HSP90AB1 P08238 2/20 0.39
LMNA P02545 1/20 0.36
ALPL P05186 2/20 0.35
HSD11B1 P28845 1/20 0.34
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CRHR1 P34998 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 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
SCHEMBL2867224 0.92 CXCR2 (0.43) CXCR2HSP90AA1HSP90AB1LMNAALPL
SCHEMBL31305442 0.92 CXCR2 (0.43) CXCR2HSP90AA1HSP90AB1LMNAALPL
SCHEMBL1482760 0.87 DHODH (0.40) CXCR2HSP90AA1HSP90AB1LMNAALPL
SCHEMBL31305406 0.86 CXCR2 (0.45) CXCR2HSP90AA1HSP90AB1ALPLHSD11B1
SCHEMBL2860399 0.86 CXCR2 (0.45) CXCR2HSP90AA1HSP90AB1ALPLHSD11B1
SCHEMBL1677019 0.86 CXCR2 (0.38) CXCR2HSP90AA1HSP90AB1LMNAALPL
SCHEMBL26111159 0.85 ADORA2A (0.40) CXCR2HSP90AA1HSP90AB1LMNAALPL
SCHEMBL31305465 0.85 ADORA2A (0.40) CXCR2HSP90AA1HSP90AB1LMNAALPL
SCHEMBL28406342 0.85 HSP90AA1 (0.40) HSP90AA1HSP90AB1LMNAALPLMAPT
SCHEMBL26111366 0.85 HSP90AA1 (0.41) CXCR2HSP90AA1HSP90AB1LMNAALPL

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.