SCHEMBL14859168

SCHEMBL14859168

CC(C)(C)c1ccc(C(=O)N(S)C(=O)Nc2cccc3ccccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 1/20 0.53
▸ MAPK14 Q16539 2/20 0.49
▸ RAB9A P51151 5/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ KMT2A Q03164 5/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ PABPC1 P11940 1/20 0.46
▸ EIF4H Q15056 1/20 0.46
▸ HPGD P15428 2/20 0.46
▸ LMNA P02545 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.44
▸ DHPS P49366 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ GAA P10253 1/20 0.44

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
SCHEMBL14860018 0.88 TRPV1 (0.52) RAB9AKMT2AMEN1KDM4ETRPV1
SCHEMBL14859659 0.87 MEN1 (0.46) NLRP3RAB9ANPC1KMT2AMEN1
SCHEMBL14859449 0.86 RAB9A (0.56) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL14859552 0.83 MEN1 (0.71) CYP1A2CYP3A4KMT2AMEN1PABPC1
SCHEMBL14859134 0.82 NR1H4 (0.47) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL14859574 0.81 HDAC6 (0.52) RAB9ANPC1KMT2AMEN1PABPC1
SCHEMBL14859118 0.80 KMT2A (0.50) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL14860007 0.79 KCNK9 (0.54) RAB9ANPC1LMNASMN1; SMN2ALDH1A1
SCHEMBL14859296 0.77 NR1H4 (0.54) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL14859608 0.77 L3MBTL1 (0.48) KMT2AMEN1HPGDLMNAKDM4E

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 NLRP3 1269/4885MAPK14 2316/4885RAB9A 2456/4885

“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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