SCHEMBL5578381

SCHEMBL5578381

O=C(OS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl)[C@@H]1CCCN1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.36
▸ HTR2C P28335 1/20 0.34
▸ ROCK2 O75116 2/20 0.34
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ SLC6A3 Q01959 2/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA3 P07451 1/20 0.32
▸ CA4 P22748 1/20 0.32
▸ CA6 P23280 1/20 0.32
▸ CA5A P35218 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CA13 Q8N1Q1 1/20 0.32

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
SCHEMBL4609720 0.85 DRD2 (0.33) HTR2CROCK2
SCHEMBL5578398 0.85 DRD2 (0.33) HTR2CROCK2
SCHEMBL5578857 0.82 CA1 (0.41) HTR2CCA1CA2
SCHEMBL5578280 0.82 CA1 (0.41) HTR2CCA1CA2
SCHEMBL5578390 0.82 CD44 (0.36) HTR2CROCK2CA12CA1CA2
SCHEMBL5578369 0.82 CD44 (0.36) HTR2CROCK2CA12CA1CA2
SCHEMBL5578329 0.81 HTR2C (0.39) CNR1HTR2CROCK2CYP1A2CYP2D6
SCHEMBL5578293 0.80 ACLY (0.33) HTR2CROCK2
SCHEMBL5578490 0.80 WDR5 (0.43) —
SCHEMBL5578559 0.80 WDR5 (0.43) —

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-20070225344-A1 Sulfonamide derivatives to treat infection with hepatitis C virus WYETH 2007-09-27 — — US claimed
US-20070225344-A1 Sulfonamide derivatives to treat infection with hepatitis C virus WYETH 2007-09-27 — — 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-20070225344-A1 Sulfonamide derivatives to treat infection with hepatitis C virus HCCS, HAVCR2, SULT2A1 CNR1 12/4885HTR2C 1145/4885ROCK2 2856/4885

“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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