SCHEMBL15723909

SCHEMBL15723909

CC(C)c1ncccc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 2/20 0.52
▸ OPRM1 P35372 1/20 0.52
▸ USP2 O75604 2/20 0.51
▸ ALDH1A1 P00352 5/20 0.51
▸ GAA P10253 3/20 0.51
▸ PKM P14618 1/20 0.50
▸ IKBKB O14920 1/20 0.49
▸ CHUK O15111 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ NR0B1 P51843 1/20 0.46
▸ NPSR1 Q6W5P4 3/20 0.46
▸ HTT P42858 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL15723900 0.88 GAA (0.56) USP2ALDH1A1GAAKDM4EHTT
SCHEMBL15730143 0.85 PKM (0.57) OPRK1OPRM1USP2ALDH1A1GAA
SCHEMBL10094505 0.80 ALDH1A1 (0.51) OPRK1OPRM1USP2ALDH1A1GAA
SCHEMBL10094586 0.79 ALDH1A1 (0.60) OPRK1OPRM1USP2ALDH1A1GAA
SCHEMBL14555904 0.78 PTGS2 (0.61) —
SCHEMBL14555429 0.76 CA2 (0.60) IKBKBCHUK
SCHEMBL18853879 0.76 NPSR1 (0.48) OPRK1OPRM1ALDH1A1GAANPSR1
SCHEMBL23502014 0.75 AURKA (0.47) OPRK1OPRM1ALDH1A1PKMKDM4E
SCHEMBL10094720 0.75 PKM (0.57) OPRK1USP2ALDH1A1GAAPKM
SCHEMBL18853896 0.74 DRD1 (0.50) ALDH1A1GAAIKBKBCHUKHTT

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-10370358-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2019-08-06 — — US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 — — 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-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 (6 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-10370358-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN OPRK1 1005/4885OPRM1 1723/4885USP2 4800/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN OPRK1 1005/4885OPRM1 1723/4885USP2 4800/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN OPRK1 1005/4885OPRM1 1723/4885USP2 4800/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN OPRK1 1005/4885OPRM1 1723/4885USP2 4800/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN OPRK1 1005/4885OPRM1 1723/4885USP2 4800/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN OPRK1 1005/4885OPRM1 1723/4885USP2 4800/4885

“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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