SCHEMBL15723918

SCHEMBL15723918

CC(C)c1ncccc1-c1ccc(S(=O)(=O)N(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ LMNA P02545 3/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ ALOX5AP P20292 1/20 0.41
▸ FEN1 P39748 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ IKBKB O14920 1/20 0.40
▸ CHUK O15111 1/20 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
SCHEMBL15724378 0.85 LMNA (0.55) PTGS2PTGS1NPC1RAB9ASMN1; SMN2
SCHEMBL15730738 0.83 MKNK1 (0.53) PTGS2PTGS1NPC1RAB9ASMN1; SMN2
SCHEMBL14555904 0.83 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL14555429 0.82 CA2 (0.60) PTGS2PTGS1CA12CA1CA2
SCHEMBL18853896 0.79 DRD1 (0.50) PTGS2PTGS1NPC1RAB9ASMN1; SMN2
SCHEMBL18853879 0.78 NPSR1 (0.48) PTGS2PTGS1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL15723909 0.74 OPRK1 (0.52) NPC1RAB9ALMNANPSR1KDM4E
SCHEMBL14555509 0.74 PTGS2 (0.45) PTGS2PTGS1NPC1RAB9ASMN1; SMN2
SCHEMBL15723877 0.74 COMT (0.46) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL15723884 0.73 CYP1A2 (0.46) SMN1; SMN2TP53MAPK1NPSR1KDM4E

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 9 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
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 — — US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 — — US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 — — US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 — — US disclosed
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 (5 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-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN PTGS2 2700/4885PTGS1 1484/4885NPC1 2/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN PTGS2 2700/4885PTGS1 1484/4885NPC1 2/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN PTGS2 2700/4885PTGS1 1484/4885NPC1 2/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN PTGS2 2700/4885PTGS1 1484/4885NPC1 2/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN PTGS2 2700/4885PTGS1 1484/4885NPC1 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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