SCHEMBL6075748

SCHEMBL6075748

COc1ccc(S(=O)(=O)N2CC=CCC(NC(=O)OCc3ccc(C(F)(F)F)cc3)C2C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
MMP1 P03956 4/20 0.42
ADAM17 P78536 1/20 0.42
MMP3 P08254 3/20 0.41
MMP9 P14780 3/20 0.41
MMP7 P09237 2/20 0.41
MMP2 P08253 2/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 3/20 0.41
HCRTR1 O43613 2/20 0.41
HCRTR2 O43614 2/20 0.41
BMP1 P13497 1/20 0.39
KCNQ1 P51787 1/20 0.39
CCR6 P51684 1/20 0.38
ADAMTS4 O75173 1/20 0.38
NOX4 Q9NPH5 1/20 0.37

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
SCHEMBL6075529 0.90 PKM (0.52) PKMSMN1; SMN2HTTMMP1MMP3
SCHEMBL6076418 0.89 SMN1; SMN2 (0.52) PKMSMN1; SMN2HTTMMP1ADAM17
SCHEMBL6075541 0.85 HCRTR1 (0.47) PKMSMN1; SMN2HTTMMP1MMP3
SCHEMBL6075725 0.84 PKM (0.52) PKMSMN1; SMN2HTTMMP1MMP3
SCHEMBL6076126 0.84 MMP3 (0.47) MMP1ADAM17MMP3MMP9MMP7
SCHEMBL7422439 0.82 MMP1 (0.57) PKMSMN1; SMN2HTTMMP1ADAM17
SCHEMBL6075466 0.82 PKM (0.47) PKMSMN1; SMN2HTTMMP1MMP3
SCHEMBL6075406 0.79 MMP3 (0.46) MMP1ADAM17MMP3MMP9MMP7
SCHEMBL7031074 0.78 SMN1; SMN2 (0.50) PKMSMN1; SMN2HTTMMP1ADAM17
SCHEMBL6076295 0.78 MMP3 (0.51) MMP1ADAM17MMP3MMP9MMP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022690-B2 Carboxylic acid substituted heterocycles, derivatives thereof and methods of use AMGEN INC. (US) 2006-04-04 US disclosed
US-20050159407-A1 Carboxylic acid substituted heterocycles, derivatives thereof and methods of use AMGEN INC. 2005-07-21 US disclosed
US-6838454-B2 Carboxylic acid substituted heterocycles, derivatives thereof and methods of use AMGEN INC. (US) 2005-01-04 US disclosed
US-20040029863-A1 Carboxylic acid substituted heterocycles, derivatives thereof and methods of use AMGEN INC. 2004-02-12 US disclosed
US-6593351-B2 3-Sulfonylamino-c5 to c8-methyleneimino-2-carboxylic acid compound is effective for prophylaxis and treatment of inflammation, tissue degradation, cancer, fibrosis and related diseases AMGEN INC. 2003-07-15 US disclosed
EP-1042297-B1 CARBOXYL ACID SUBSTITUTED HETEROCYCLES AS METALLOPROTEINASE INHIBITORS AMGEN INC (US) 2003-02-26 EP disclosed
US-20020065269-A1 Carboxylic acid substituted heterocycles, derivatives thereof and methods of use AMGEN INC. 2002-05-30 US disclosed
US-6335329-B1 N-SULFONYL-3-AMINOAZEPINE-2-CARBOXYLIC ACID DERIVATIVES; ANTIINFLAMMATORY, ANTICARCINOGENIC, AND ANTIARTHRITIC AGENTS; METALLOPROTEINASE INHIBITORS AMGEN INC. 2002-01-01 US disclosed
US-6291450-B1 Carboxylic acid substituted heterocycles, derivatives thereof and methods of use AMGEN INC. 2001-09-18 US 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-20040029863-A1 Carboxylic acid substituted heterocycles, derivatives thereof and methods of use HCAR2, HCAR1, TNF PKM 701/4885SMN1; SMN2 3714/4885HTT 3171/4885
US-20020065269-A1 Carboxylic acid substituted heterocycles, derivatives thereof and methods of use HCAR2, HCAR1, TNF PKM 701/4885SMN1; SMN2 3714/4885HTT 3171/4885
US-20050159407-A1 Carboxylic acid substituted heterocycles, derivatives thereof and methods of use HCAR2, HCAR1, TNF PKM 701/4885SMN1; SMN2 3714/4885HTT 3171/4885

“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.