SCHEMBL7048811

SCHEMBL7048811

Nc1cc(C[C@H](NC(=O)Cc2ccccc2)C(=O)NCCCCc2ccccc2)ccc1OC(F)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 6/20 0.53
CHRNG P07510 6/20 0.53
CHRNB1 P11230 6/20 0.53
CHRND Q07001 6/20 0.53
GRIA1 P42261 2/20 0.51
CTSL P07711 2/20 0.49
PTPN1 P18031 3/20 0.47
SRC P12931 1/20 0.45
TRPV1 Q8NER1 1/20 0.44

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
SCHEMBL7047071 0.93 GRIA1 (0.54) CHRNA1CHRNGCHRNB1CHRNDGRIA1
SCHEMBL4650266 0.90 GRIA1 (0.49) CHRNA1CHRNGCHRNB1CHRNDGRIA1
SCHEMBL4651088 0.86 MAPT (0.43) PTPN1
SCHEMBL7054281 0.86 CHRNB2 (0.49) GRIA1CTSL
SCHEMBL4650233 0.85 ITGB3 (0.48)
SCHEMBL4651118 0.85 ITGB3 (0.42) GRIA1PTPN1
SCHEMBL7048812 0.82 THRB (0.48) TRPV1
SCHEMBL4650264 0.82 NPY5R (0.52)
SCHEMBL4650967 0.81 ITGB3 (0.44)
SCHEMBL4650222 0.80 ITGB3 (0.53) PTPN1

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 CHRNA1 3911/4885CHRNG 4681/4885CHRNB1 3247/4885

“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.