SCHEMBL14860477

SCHEMBL14860477

CC(C)(C)c1ccc(C(=O)N(S)C(=O)Nc2cccc(Cl)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNK9 Q9NPC2 1/20 0.50
▸ RAPGEF3 O95398 1/20 0.49
▸ RAPGEF4 Q8WZA2 1/20 0.49
▸ PPARG P37231 2/20 0.47
▸ NR1H4 Q96RI1 2/20 0.47
▸ NPC1 O15118 4/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ CNR1 P21554 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ ADORA2A P29274 1/20 0.46
▸ ADORA2B P29275 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ KCNK3 O14649 1/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ TP53 P04637 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ LMNA P02545 2/20 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
SCHEMBL14860029 0.96 CNR1 (0.52) KCNK9RAPGEF3RAPGEF4PPARGNR1H4
SCHEMBL14860198 0.86 KCNK3 (0.60) KCNK9NR1H4NPC1RAB9AKCNK3
SCHEMBL14859726 0.86 NLRP3 (0.55) KCNK9NR1H4NPC1RAB9AKCNK3
SCHEMBL14860007 0.84 KCNK9 (0.54) KCNK9NR1H4NPC1RAB9ASMN1; SMN2
SCHEMBL14859296 0.83 NR1H4 (0.54) NR1H4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL14859781 0.82 NPC1 (0.52) KCNK9NPC1RAB9ACNR1KCNK3
SCHEMBL14860305 0.81 SMARCA2 (0.45) KCNK9NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL14859888 0.80 NR1H4 (0.51) RAPGEF3RAPGEF4NR1H4NPC1RAB9A
SCHEMBL15149595 0.75 KCNK9 (0.56) KCNK9RAPGEF3RAPGEF4PPARGNR1H4
SCHEMBL2348633 0.75 SMN1; SMN2 (0.65) NPC1RAB9AKMT2ASMN1; SMN2MAPT

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
EP-2583962-A2 NOVEL THIOUREA OR UREA DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING AIDS, CONTAINING SAME AS ACTIVE INGREDIENT Avixgen Inc. (KR) 2013-04-24 — — EP claimed
EP-2583962-A2 NOVEL THIOUREA OR UREA DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING AIDS, CONTAINING SAME AS ACTIVE INGREDIENT Avixgen Inc. (KR) 2013-04-24 — — EP disclosed
US-20130096138-A1 NOVEL THIOUREA OR UREA DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING AIDS, CONTAINING SAME AS ACTIVE INGREDIENT AVIXGEN INC. (KR) 2013-04-18 — — 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 (1 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-20130096138-A1 NOVEL THIOUREA OR UREA DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING AIDS, CONTAINING SAME AS ACTIVE INGREDIENT UGP2, TPMT, UPP1 KCNK9 3653/4885RAPGEF3 3959/4885RAPGEF4 3784/4885

“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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