SCHEMBL3289998

SCHEMBL3289998

CC(C)(C)CCCc1ccc(OBOc2ccc(CCCC(C)(C)C)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.38
CALM1 P0DP23 1/20 0.38
KCNH2 Q12809 1/20 0.36
IGF1R P08069 1/20 0.34
ALOX15 P16050 1/20 0.34
HRH3 Q9Y5N1 2/20 0.33
STS P08842 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
HTR1A P08908 2/20 0.33
HTR1B P28222 2/20 0.33
HTR1D P28221 1/20 0.33
PPARG P37231 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ALOX5 P09917 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
SCHEMBL3295047 0.95 MAOB (0.39) PPARACALM1KCNH2HRH3
SCHEMBL10025199 0.81 CALM1 (0.58) CALM1IGF1RALOX15TAAR1SIGMAR1
SCHEMBL769086 0.79 CA2 (0.47) CALM1
SCHEMBL1509992 0.77 ALDH1A1 (0.52) HRH3
SCHEMBL13781500 0.76 CALM1 (0.56) CALM1IGF1RALOX15TAAR1SIGMAR1
SCHEMBL1020215 0.76 ALDH1A1 (0.55)
SCHEMBL1021740 0.76 ALDH1A1 (0.55)
SCHEMBL5832861 0.76 ALDH1A1 (0.55)
SCHEMBL186428 0.76 ALDH1A1 (0.55)
SCHEMBL3321418 0.75 LTA4H (0.53) PPARACALM1IGF1RALOX15HRH3

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 PPARA 2681/4885CALM1 966/4885KCNH2 2364/4885
US-20100113331-A1 Substituted Imidazole Derivatives, Compositions, and Methods of Use as PtPase Inhibitors PTP4A1, PTPRJ, PTP4A2 PPARA 2681/4885CALM1 966/4885KCNH2 2364/4885
US-20120196906-A1 Substituted Imidazole Derivatives, Compositions, and Methods of Use as PTPase Inhibitors PTP4A1, PTPRJ, PTP4A2 PPARA 2681/4885CALM1 966/4885KCNH2 2364/4885

“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.