SCHEMBL14859134

SCHEMBL14859134

CC(C)(C)c1ccc(C(=O)N(S)C(=O)Nc2ccccc2F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 3/20 0.47
▸ PPARG P37231 2/20 0.47
▸ RAB9A P51151 9/20 0.46
▸ NPC1 O15118 5/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ GLA P06280 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ PKM P14618 1/20 0.45
▸ CDK5 Q00535 1/20 0.45
▸ CDK5R1 Q15078 1/20 0.45
▸ PDK1 Q15118 1/20 0.44
▸ PDK2 Q15119 1/20 0.44
▸ PDK3 Q15120 1/20 0.44
▸ PDK4 Q16654 1/20 0.44
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALOX12 P18054 1/20 0.42

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
SCHEMBL14859168 0.82 NLRP3 (0.53) NR1H4PPARGRAB9ANPC1ALDH1A1
SCHEMBL14860007 0.81 KCNK9 (0.54) NR1H4RAB9ANPC1ALDH1A1GLA
SCHEMBL7297206 0.81 RAB9A (0.68) NR1H4PPARGRAB9ANPC1ALDH1A1
SCHEMBL14859296 0.79 NR1H4 (0.54) NR1H4RAB9ANPC1SMN1; SMN2CA1
SCHEMBL14859860 0.79 EPHX2 (0.49) NR1H4RAB9AATML3MBTL1KMT2A
SCHEMBL14859659 0.79 MEN1 (0.46) NR1H4PPARGRAB9ANPC1ALDH1A1
SCHEMBL14859608 0.76 L3MBTL1 (0.48) ALDH1A1L3MBTL1SMN1; SMN2KDM4EKMT2A
SCHEMBL14859574 0.76 HDAC6 (0.52) RAB9ANPC1ALDH1A1L3MBTL1KDM4E
SCHEMBL14859597 0.76 HDAC1 (0.53) KDM4E
SCHEMBL14859930 0.76 NPC1 (0.51) RAB9ANPC1ALDH1A1SMN1; SMN2PKM

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 NR1H4 4314/4885PPARG 4194/4885RAB9A 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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