SCHEMBL7048812

SCHEMBL7048812

Nc1cc(C(CC(=O)NCCCCc2ccccc2)NC(=O)Cc2ccccc2)ccc1OC(F)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.48
TRPV1 Q8NER1 5/20 0.47
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 3/20 0.44
HPGD P15428 2/20 0.44
GAA P10253 1/20 0.43
LMNA P02545 4/20 0.41
MAPT P10636 4/20 0.41
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
SIRT5 Q9NXA8 1/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
FAAH O00519 1/20 0.39
MEN1 O00255 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
Benzene SCHEMBL4651130 0.87 ALDH1A1 (0.44) THRBTRPV1ALDH1A1KMT2AHPGD
SCHEMBL4650237 0.86 THRB (0.43) THRBTRPV1ALDH1A1KMT2AHPGD
SCHEMBL7048811 0.82 CHRNA1 (0.53) TRPV1
SCHEMBL4650977 0.82 ALDH1A1 (0.51) ALDH1A1KMT2ATP53
SCHEMBL4650246 0.81 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1
SCHEMBL4650253 0.80 EEF2K (0.44) THRBALDH1A1
SCHEMBL4651005 0.79 ITGB3 (0.43) THRBALDH1A1
SCHEMBL4651099 0.77 ALDH1A1 (0.49) ALDH1A1KMT2AHPGDGAAMEN1
SCHEMBL4651108 0.76 ALDH1A1 (0.44) ALDH1A1HPGDGAAMAPTTP53
SCHEMBL4651230 0.75 ALDH1A1 (0.38) ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6586467-B2 Tyrosine phosphatase inhibitors useful in the treatment or prevention of Type II Diabetes Mellitus ARRAY BIOPHARMA INC. 2003-07-01 US claimed
EP-1301474-A2 TYROSINE DERIVATIVES AS PHOSPHATASE INHIBITORS Array Biopharma Inc. (US) 2003-04-16 EP claimed
US-20020040003-A1 Preparation of phosphatase inhibitors ARRAY BIOPHARMA INC. 2002-04-04 US claimed
WO-2002004412-A2 TYROSINE DERIVATIVES AS PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2002-01-17 WO claimed
US-6586467-B2 Tyrosine phosphatase inhibitors useful in the treatment or prevention of Type II Diabetes Mellitus ARRAY BIOPHARMA INC. 2003-07-01 US disclosed
EP-1301474-A2 TYROSINE DERIVATIVES AS PHOSPHATASE INHIBITORS Array Biopharma Inc. (US) 2003-04-16 EP disclosed
US-20020040003-A1 Preparation of phosphatase inhibitors ARRAY BIOPHARMA INC. 2002-04-04 US disclosed
WO-2002004412-A2 TYROSINE DERIVATIVES AS PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2002-01-17 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 (1 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-20020040003-A1 Preparation of phosphatase inhibitors PTPRS, PTPRO, PTPRR THRB 733/4885TRPV1 3605/4885ALDH1A1 446/4885

“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.