SCHEMBL14860301

SCHEMBL14860301

CC(C)(C)c1ccc(C(=O)N(S)C(=O)NCc2ccc(Cl)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.67
▸ KMT2A Q03164 3/20 0.67
▸ CYP1A2 P05177 1/20 0.67
▸ CYP2C19 P33261 1/20 0.67
▸ EPHX2 P34913 14/20 0.57
▸ NR1H4 Q96RI1 12/20 0.57
▸ HDAC3 O15379 1/20 0.51
▸ HDAC8 Q9BY41 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ POLB P06746 1/20 0.50
▸ RAB9A P51151 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ NPC1 O15118 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48

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 0.89 EPHX2 (0.59) MEN1KMT2ACYP1A2CYP2C19EPHX2
SCHEMBL14859888 0.86 NR1H4 (0.51) MEN1KMT2ACYP1A2CYP2C19EPHX2
SCHEMBL14860245 0.85 EPHX2 (0.54) MEN1KMT2ACYP1A2CYP2C19EPHX2
SCHEMBL14860299 0.83 MEN1 (0.50) MEN1KMT2ACYP2C19POLBRAB9A
SCHEMBL14859532 0.81 NR1H4 (0.50) MEN1KMT2ACYP1A2CYP2C19EPHX2
SCHEMBL14859138 0.80 NR1H4 (0.52) MEN1KMT2AEPHX2NR1H4HDAC3
SCHEMBL14859169 0.77 BCHE (0.46) MEN1KMT2ANR1H4HDAC3HDAC8
SCHEMBL14860135 0.77 HPGD (0.50) MEN1KMT2AEPHX2NR1H4RAB9A
SCHEMBL14859860 0.76 EPHX2 (0.49) MEN1KMT2AEPHX2NR1H4RAB9A
SCHEMBL14859225 0.75 RAB9A (0.67) EPHX2NR1H4HDAC8HDAC6RAB9A

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 MEN1 4110/4885KMT2A 2604/4885CYP1A2 1755/4885

“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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