SCHEMBL18018255

SCHEMBL18018255

CC1(F)C[C@@H](C(=O)OCc2ccccc2)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 9/20 0.44
KLK7 P49862 1/20 0.43
CTSL P07711 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PARP1 P09874 1/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
ABCB1 P08183 1/20 0.38
HTR2C P28335 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
SCHEMBL18578105 1.00 FKBP1A (0.44) FKBP1AKLK7CTSLMEN1KMT2A
SCHEMBL12480502 1.00 FKBP1A (0.44) FKBP1AKLK7CTSLMEN1KMT2A
SCHEMBL18591124 0.90 FKBP1A (0.45) FKBP1AKLK7CTSLPARP1PDK1
SCHEMBL6788747 0.90 FKBP1A (0.45) FKBP1AKLK7CTSLPARP1PDK1
SCHEMBL16584597 0.89 FKBP1A (0.46) FKBP1AKLK7CTSLMEN1KMT2A
SCHEMBL31614218 0.89 FKBP1A (0.46) FKBP1AKLK7CTSLMEN1KMT2A
SCHEMBL16584596 0.89 FKBP1A (0.46) FKBP1AKLK7CTSLMEN1KMT2A
SCHEMBL18591202 0.88 FKBP1A (0.43) FKBP1AKLK7CTSLMEN1KMT2A
SCHEMBL25930946 0.88 FKBP1A (0.43) FKBP1AKLK7CTSLMEN1KMT2A
SCHEMBL21441839 0.88 FKBP1A (0.45) FKBP1AKLK7CTSLPARP1HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922392-B 1- (hetero) arylsulfonyl- (pyrrolidine or piperidine) -2-carboxamide derivatives and uses thereof 豪夫迈·罗氏有限公司 2020-07-21 CN disclosed
EP-3256463-B1 1-(HET)ARYLSULFONYL-(PYRROLIDINE OR PIPERIDINE)-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2019-10-09 EP disclosed
US-10179782-B2 Substituted sulfonamide compounds GENENTECH, INC. (US) 2019-01-15 US disclosed
US-20160264567-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GENENTECH, INC. (US) 2016-09-15 US disclosed
US-20160264567-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GENENTECH, INC. (US) 2016-09-15 US disclosed
WO-2016128529-A1 1-(HET)ARYLSULFONYL-(PYRROLIDINE OR PIPERIDINE)-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2016-08-18 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-10179782-B2 Substituted sulfonamide compounds TRPA1, TRPV1, TRPV5 FKBP1A 555/4885KLK7 2592/4885CTSL 3145/4885
US-20160264567-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS TRPA1, TRPV1, TRPV5 FKBP1A 555/4885KLK7 2592/4885CTSL 3145/4885

“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.