SCHEMBL16903678

SCHEMBL16903678

CC(C)c1cccc(-c2ccc(C(F)(F)F)nn2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN5 P54829 2/20 0.43
▸ CTSS P25774 1/20 0.39
▸ CTSK P43235 1/20 0.39
▸ SLC6A2 P23975 3/20 0.38
▸ SLC6A4 P31645 3/20 0.38
▸ SLC6A3 Q01959 3/20 0.38
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ RXRG P48443 1/20 0.38
▸ TRPV1 Q8NER1 2/20 0.38
▸ CNR2 P34972 1/20 0.36
▸ MAOB P27338 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ GABRA1 P14867 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ GABRG2 P18507 1/20 0.35

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
SCHEMBL24721134 0.86 CTSS (0.39) PTPN5CTSSCTSKRXRARXRB
SCHEMBL16906662 0.80 SDHB (0.52) PTPN5SLC6A2SLC6A4SLC6A3HSD17B10
SCHEMBL16894280 0.73 SYK (0.47) SLC6A2SLC6A4SLC6A3CNR2HSD17B10
SCHEMBL24721522 0.73 CTSS (0.39) PTPN5CTSSCTSKRXRARXRB
SCHEMBL15723872 0.72 PTPN5 (0.42) PTPN5RXRARXRBRXRGTRPV1
SCHEMBL25610921 0.71 CTSS (0.42) PTPN5CTSSCTSKSLC6A2SLC6A4
SCHEMBL3626772 0.71 CTSS (0.50) PTPN5CTSSCTSKRXRARXRB
SCHEMBL2662570 0.70 PTPN5 (0.65) PTPN5RXRARXRBRXRGMAOB
SCHEMBL5352034 0.70 RXRA (0.62) PTPN5CTSSCTSKRXRARXRB
SCHEMBL2609372 0.70 MAOB (0.50) CTSSCNR2MAOBHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580411-B2 Substituted sulfonamide compounds HOFFMANN-LA ROCHE INC. (US) 2017-02-28 — — US disclosed
US-9580411-B2 Substituted sulfonamide compounds HOFFMANN-LA ROCHE INC. (US) 2017-02-28 — — US disclosed
US-20150197509-A1 SUBSTITUTED SULFONAMIDE SOLUTIONS GENENTECH, INC. (US) 2015-07-16 — — 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 (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-20150197509-A1 SUBSTITUTED SULFONAMIDE SOLUTIONS TRPA1, TRPV1, TRPV5 PTPN5 763/4885CTSS 1254/4885CTSK 1892/4885

“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.

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