SCHEMBL23501966

SCHEMBL23501966

CNc1ncccc1-c1ccc(S(=O)(=O)NC(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.46
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ADAMTS4 O75173 5/20 0.41
▸ PTGS2 P35354 2/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ ADRB2 P07550 1/20 0.39
▸ ADRB1 P08588 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ IKBKB O14920 1/20 0.39
▸ CHUK O15111 1/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ MMP2 P08253 2/20 0.38

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
SCHEMBL15730134 0.85 NPSR1 (0.49) NPSR1MEN1KMT2AADAMTS4PTGS2
SCHEMBL18853879 0.83 NPSR1 (0.48) NPSR1MEN1KMT2AADAMTS4PTGS2
SCHEMBL15409854 0.78 MKNK1 (0.46) NPSR1MEN1KMT2AADAMTS4ALDH1A1
SCHEMBL18853896 0.73 DRD1 (0.50) MEN1KMT2APTGS2PTGS1ALDH1A1
SCHEMBL17612628 0.72 KDM4E (0.44) MEN1KMT2APTGS2PTGS1ALDH1A1
SCHEMBL29157507 0.71 KDM4E (0.56) MEN1KMT2APTGS2ALDH1A1GAA
SCHEMBL6613031 0.71 ADAMTS4 (0.70) NPSR1ADAMTS4ALDH1A1CA12CA1
SCHEMBL15730108 0.71 DRD1 (0.54) PTGS2PTGS1ALDH1A1CA12CA1
SCHEMBL15606209 0.69 ADAMTS4 (0.55) NPSR1ADAMTS4ALDH1A1GAAMMP2
SCHEMBL24312318 0.68 PSEN1 (0.53) ADAMTS4MMP2MMP3MMP13MMP1

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 NPSR1 2832/4885MEN1 2645/4885KMT2A 2804/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN NPSR1 2832/4885MEN1 2645/4885KMT2A 2804/4885

“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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