SCHEMBL7167261

SCHEMBL7167261

Cc1ccc(S(=O)(=O)c2ccc3c(c2)c(CCNC(=O)OC(C)(C)C)c(C)n3C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.47
CYP3A4 P08684 2/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA1 P00915 6/20 0.40
CA2 P00918 6/20 0.40
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
NQO2 P16083 1/20 0.39
CA12 O43570 5/20 0.39

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
SCHEMBL6575520 0.93 SPR (0.46) SPRALDH1A1CA1CA2HDAC3
SCHEMBL6579480 0.91 SPR (0.44) SPRCA1CA2HDAC3HDAC4
SCHEMBL6577278 0.90 SPR (0.45) SPRALDH1A1CA1CA2HDAC3
SCHEMBL6579615 0.87 SPR (0.45) SPRALDH1A1CA1CA2HDAC3
SCHEMBL7168801 0.85 NQO2 (0.46) SPRALDH1A1CA1CA2HDAC3
SCHEMBL6577287 0.82 NQO2 (0.47) SPRCYP3A4PKMCA1CA2
SCHEMBL7163608 0.82 ALDH1A1 (0.36) SPRCYP3A4PKMALDH1A1SMN1; SMN2
SCHEMBL7163525 0.81 SPR (0.42) SPRCYP3A4PKMALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL6577151 0.80 SPR (0.42) SPRCYP3A4PKMALDH1A1SMN1; SMN2
SCHEMBL6579596 0.79 MTNR1A (0.47) SPRSMN1; SMN2CA1CA2NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6565829-B2 Psychological disorders; central nervous system disorders PHARMACIA & UPJOHN COMPANY 2003-05-20 US claimed
US-20030060498-A1 5-arylsulfonyl indoles useful for treating disease PHARMACIA & UPJOHN COMPANY 2003-03-27 US claimed
US-6565829-B2 Psychological disorders; central nervous system disorders PHARMACIA & UPJOHN COMPANY 2003-05-20 US disclosed
US-20030060498-A1 5-arylsulfonyl indoles useful for treating disease PHARMACIA & UPJOHN COMPANY 2003-03-27 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-20030060498-A1 5-arylsulfonyl indoles useful for treating disease IDO1, HTR5A, IDO2 SPR 807/4885CYP3A4 496/4885PKM 614/4885

“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.