SCHEMBL23501943

SCHEMBL23501943

CCc1ncccc1-c1ccc(S(=O)(=O)NC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 1/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ PTGS2 P35354 3/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ GAA P10253 1/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA3 P07451 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA6 P23280 1/20 0.40
▸ CA5A P35218 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA13 Q8N1Q1 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ CA5B Q9Y2D0 1/20 0.40
▸ LIMK2 P53671 2/20 0.40

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
SCHEMBL17066970 0.84 PTGS2 (0.60) DRD1PTGS2PTGS1ATR
SCHEMBL20371519 0.82 CA2 (0.56) DRD1PTGS2PTGS1CA12CA1
SCHEMBL15730108 0.82 DRD1 (0.54) DRD1SMN1; SMN2NPC1RAB9APTGS2
SCHEMBL23501963 0.80 ALDH1A1 (0.54) SMN1; SMN2GAALMNAHTTIKBKB
SCHEMBL18853895 0.79 ALDH1A1 (0.53) SMN1; SMN2PTGS2PTGS1CA1CA2
SCHEMBL25972916 0.79 DRD1 (0.46) DRD1SMN1; SMN2CA1CA2LIMK2
SCHEMBL18853896 0.78 DRD1 (0.50) DRD1SMN1; SMN2NPC1RAB9APTGS2
SCHEMBL20371667 0.77 IKBKB (0.48) SMN1; SMN2NPC1RAB9AGAALMNA
SCHEMBL15408443 0.75 IKBKB (0.50) DRD1SMN1; SMN2NPC1RAB9APTGS2
SCHEMBL20371609 0.75 SYK (0.46) NPC1RAB9A

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-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 — — US disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 — — 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 (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-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN DRD1 3722/4885SMN1; SMN2 3500/4885NPC1 2/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN DRD1 3722/4885SMN1; SMN2 3500/4885NPC1 2/4885

“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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