SCHEMBL4466382

SCHEMBL4466382

CC(C)(C)C(C(=O)O)N(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
BMP1 P13497 2/20 0.44
MMP13 P45452 2/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
ADAMTS4 O75173 1/20 0.44
ADAMTS5 Q9UNA0 1/20 0.44
NAMPT P43490 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
MMP8 P22894 2/20 0.41

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
SCHEMBL4455532 0.79 PTPN1 (0.47)
SCHEMBL5740916 0.75 MAPT (0.54) MAPTBMP1MMP13MEN1KMT2A
SCHEMBL4854844 0.74 PTPN1 (0.43)
SCHEMBL5121714 0.70 TRPM8 (0.59) TRPM8MEN1KMT2A
SCHEMBL5121724 0.70 TRPM8 (0.59) TRPM8MEN1KMT2A
SCHEMBL5740920 0.69 MAPT (0.41) MAPTMMP13ADAMTS4HTTNPSR1
SCHEMBL5259685 0.66 NPSR1 (0.43) MAPTMMP13ADAMTS4ADAMTS5MEN1
SCHEMBL22651832 0.64 HTR2A (0.57) MAPTMEN1KMT2A
SCHEMBL7612638 0.64 HTR2A (0.66) MAPTMEN1KMT2A
SCHEMBL25218426 0.64 BMP1 (0.59) BMP1

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-7524878-B2 Phenyl substituted carboxylic acids THE INSTITUTE FOR PHARMACEUTICALS DISCOVERY LLC (US) 2009-04-28 US disclosed
US-7465825-B2 Phenyl substituted carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2008-12-16 US disclosed
EP-1836182-A2 HETEROCYCLYLBIPHENYL DERIVATES AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS The Institutes for Pharmaceutical Discovery, LLC (US) 2007-09-26 EP disclosed
US-20060122257-A1 Phenyl substituted carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC 2006-06-08 US disclosed
WO-2006055625-A2 HETEROCYCLYLBIPHENYL DERIVATES AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2006-05-26 WO disclosed
EP-1620422-A2 PHENYL SUBSTITUTED CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B The Institutes for Pharmaceutical Discovery, LLC (US) 2006-02-01 EP disclosed
US-20050004369-A1 Phenyl substituted carboxylic acids INSTITUTES FOR PHARMACEUTICAL DISCOVERY, L.L.C. 2005-01-06 US disclosed
WO-2004099170-A2 PHENYL SUBSTITUTED CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2004-11-18 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 (2 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-20060122257-A1 Phenyl substituted carboxylic acids PTPA, PTPRS, PTPRO MAPT 1749/4885BMP1 3284/4885MMP13 3318/4885
US-20050004369-A1 Phenyl substituted carboxylic acids PTPA, PTPRS, PTPRO MAPT 1749/4885BMP1 3284/4885MMP13 3318/4885

“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.