SCHEMBL14860245

SCHEMBL14860245

CC(C)(C)c1ccc(C(=O)N(S)C(=O)NCc2ccncc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 10/20 0.54
▸ NR1H4 Q96RI1 8/20 0.54
▸ ALDH1A1 P00352 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ LMNA P02545 2/20 0.49
▸ HTT P42858 2/20 0.49
▸ MAPT P10636 1/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ HDAC3 O15379 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ NAMPT P43490 2/20 0.46
▸ MMP13 P45452 2/20 0.46
▸ MMP2 P08253 1/20 0.46
▸ CYP3A4 P08684 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
SCHEMBL14860316 0.86 EPHX2 (0.59) EPHX2NR1H4LMNAMAPTRAB9A
SCHEMBL14860301 0.85 MEN1 (0.67) EPHX2NR1H4LMNARAB9AHDAC3
SCHEMBL12042426 0.81 LMNA (0.72) EPHX2NR1H4ALDH1A1LMNAHTT
SCHEMBL14859138 0.80 NR1H4 (0.52) EPHX2NR1H4ALDH1A1LMNAHTT
SCHEMBL14859670 0.80 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2LMNAHTTRAB9A
SCHEMBL14859888 0.79 NR1H4 (0.51) EPHX2NR1H4ALDH1A1SMN1; SMN2LMNA
SCHEMBL14859532 0.79 NR1H4 (0.50) EPHX2NR1H4LMNARAB9AHDAC3
SCHEMBL14860135 0.77 HPGD (0.50) EPHX2NR1H4ALDH1A1LMNAHTT
SCHEMBL14859860 0.76 EPHX2 (0.49) EPHX2NR1H4LMNAHTTRAB9A
SCHEMBL7848467 0.76 EPHX2 (0.70) EPHX2NR1H4ALDH1A1LMNAHTT

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
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
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 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 EPHX2 2141/4885NR1H4 4314/4885ALDH1A1 1884/4885

“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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