SCHEMBL16906528

SCHEMBL16906528

COc1cc(C)cc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 2/20 0.50
▸ RXRB P28702 1/20 0.50
▸ RXRG P48443 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ ABL1 P00519 2/20 0.46
▸ ABCB1 P08183 2/20 0.46
▸ BCR P11274 2/20 0.46
▸ PTGS1 P23219 1/20 0.44
▸ KIF11 P52732 6/20 0.42
▸ MAOB P27338 1/20 0.42
▸ PPARD Q03181 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HSD17B1 P14061 1/20 0.41
▸ HSD17B2 P37059 1/20 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
SCHEMBL6733430 0.89 ABL1 (0.57) RXRARXRBRXRGKDM4ENPC1
SCHEMBL14959919 0.83 KIF11 (0.58) RXRARXRBKDM4EHPGDKIF11
SCHEMBL19301032 0.83 KIF11 (0.54) KDM4EHPGDKIF11MAOBALDH1A1
SCHEMBL16903667 0.81 RXRA (0.56) RXRARXRBRXRGKDM4ENPC1
SCHEMBL26375411 0.80 KIF11 (0.53) RXRARXRBRXRGKDM4EHPGD
SCHEMBL3992142 0.79 KIF11 (0.54) RAB9AKIF11MAOB
SCHEMBL2952197 0.79 ALDH1A1 (0.53) RXRAABL1ABCB1BCRALDH1A1
SCHEMBL16894215 0.78 KIF11 (0.57) RXRARXRBRXRGKDM4ENPC1
SCHEMBL16894078 0.78 RXRA (0.52) RXRARXRBRXRGKDM4ENPC1
SCHEMBL257565 0.77 RXRA (0.43) RXRARXRBRXRGRAB9ANPSR1

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
EP-2900642-B1 SUBSTITUTED SULFONAMIDE COMPOUNDS HOFFMANN LA ROCHE (CH) 2018-02-28 — — EP 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 RXRA 853/4885RXRB 1033/4885RXRG 1287/4885

“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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