SCHEMBL18854062

SCHEMBL18854062

CC(C)c1ncccc1-c1ccc(S(=O)(=O)NC2CCCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ ALDH1A1 P00352 7/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ GRM4 Q14833 1/20 0.50
▸ LMNA P02545 3/20 0.49
▸ GAA P10253 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ HTT P42858 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ MCOLN3 Q8TDD5 1/20 0.47
▸ IKBKB O14920 1/20 0.47
▸ CHUK O15111 1/20 0.47
▸ GLA P06280 1/20 0.45

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
SCHEMBL15730618 0.86 ALDH1A1 (0.59) SMN1; SMN2KDM4ERECQLALDH1A1CYP3A4
SCHEMBL14555461 0.83 SMN1; SMN2 (0.55) SMN1; SMN2KDM4ERECQLALDH1A1CYP3A4
SCHEMBL23501963 0.82 ALDH1A1 (0.54) SMN1; SMN2KDM4ERECQLALDH1A1CYP3A4
SCHEMBL20371424 0.81 BRD4 (0.53) KDM4EALDH1A1TSHRLMNAHPGD
SCHEMBL18853879 0.81 NPSR1 (0.48) SMN1; SMN2RECQLALDH1A1GAAKMT2A
SCHEMBL18853896 0.79 DRD1 (0.50) SMN1; SMN2ALDH1A1LMNAGAAHTT
SCHEMBL14555904 0.75 PTGS2 (0.61) —
SCHEMBL14132621 0.75 SMN1; SMN2 (0.71) SMN1; SMN2KDM4ERECQLALDH1A1CYP3A4
SCHEMBL23806536 0.75 SMN1; SMN2 (0.71) SMN1; SMN2KDM4ERECQLALDH1A1CYP3A4
SCHEMBL15723909 0.74 OPRK1 (0.52) KDM4EALDH1A1TSHRLMNAGAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 SMN1; SMN2 3500/4885KDM4E 1590/4885RECQL 1517/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN SMN1; SMN2 3500/4885KDM4E 1590/4885RECQL 1517/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN SMN1; SMN2 3500/4885KDM4E 1590/4885RECQL 1517/4885

“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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