SCHEMBL4457012

SCHEMBL4457012

CC(C)c1ccc(S(=O)(=O)N2CCNCC2C(=O)OCc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.43
MMP9 P14780 4/20 0.43
MMP13 P45452 4/20 0.43
MMP3 P08254 1/20 0.43
MMP7 P09237 1/20 0.43
ADAM17 P78536 2/20 0.41
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 4/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CCR4 P51679 1/20 0.38
FKBP1A P62942 2/20 0.37
BRD4 O60885 1/20 0.37
HTR6 P50406 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HCRTR1 O43613 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
SCHEMBL12293305 0.84 MMP1 (0.48) MMP1MMP9MMP13MMP3MMP7
SCHEMBL4402330 0.84 MMP1 (0.48) MMP1MMP9MMP13MMP3MMP7
Hydrochloric Acid SCHEMBL2446086 0.83 MMP1 (0.47) MMP1MMP9MMP13MMP3MMP7
Hydrochloric Acid SCHEMBL2442986 0.83 MMP1 (0.47) MMP1MMP9MMP13MMP3MMP7
SCHEMBL14348088 0.77 FKBP1A (0.56) MMP1MMP9MMP13MMP3MMP7
SCHEMBL2439342 0.77 MMP1 (0.48) MMP1MMP9MMP13MMP3MMP7
Hydrochloric Acid SCHEMBL2439344 0.76 MMP1 (0.47) MMP1MMP9MMP13MMP3MMP7
Hydrochloric Acid SCHEMBL2439341 0.76 MMP1 (0.47) MMP1MMP9MMP13MMP3MMP7
SCHEMBL5717305 0.73 FKBP1A (0.60) MMP9ALDH1A1KDM4EKMT2AMEN1
SCHEMBL15094685 0.72 MMP1 (0.48) MMP1MMP9MMP13MMP3MMP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-05-03 US disclosed
US-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2008-04-03 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 (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-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors HAVCR2, AADAC, DNPEP MMP1 511/4885MMP9 2522/4885MMP13 451/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H MMP1 626/4885MMP9 2144/4885MMP13 553/4885

“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.