SCHEMBL15730738

SCHEMBL15730738

Cc1ncccc1-c1ccc(S(=O)(=O)N(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 1/20 0.53
▸ MKNK2 Q9HBH9 1/20 0.53
▸ PTGS2 P35354 4/20 0.48
▸ PTGS1 P23219 2/20 0.48
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ TP53 P04637 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ LMNA P02545 3/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ HTT P42858 1/20 0.43
▸ IKBKB O14920 1/20 0.42
▸ CHUK O15111 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 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
SCHEMBL15730736 0.84 HTT (0.62) MKNK1MKNK2PTGS2PTGS1NPC1
SCHEMBL15723918 0.83 PTGS2 (0.43) PTGS2PTGS1NPC1RAB9ASMN1; SMN2
SCHEMBL15730118 0.81 PTGS2 (0.67) MKNK1MKNK2PTGS2PTGS1
SCHEMBL15730256 0.80 CA2 (0.62) MKNK1MKNK2PTGS2PTGS1CA12
SCHEMBL13694518 0.78 KCNH2 (0.44) PTGS2PTGS1SMN1; SMN2LMNAALDH1A1
SCHEMBL15730108 0.77 DRD1 (0.54) MKNK1MKNK2PTGS2PTGS1NPC1
SCHEMBL7662428 0.75 MKNK1 (0.61) MKNK1MKNK2PTGS2PTGS1SMN1; SMN2
SCHEMBL5890969 0.74 LMNA (0.64) NPC1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL5891165 0.74 LMNA (0.64) NPC1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL15730134 0.74 NPSR1 (0.49) MKNK1MKNK2PTGS2PTGS1NPSR1

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
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 — — US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 — — US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 — — 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-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN MKNK1 2159/4885MKNK2 2342/4885PTGS2 2700/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN MKNK1 2159/4885MKNK2 2342/4885PTGS2 2700/4885

“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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