SCHEMBL14859225

SCHEMBL14859225

CC(C)(C)c1ccc(C(=O)N(S)C(=O)NCCc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.67
▸ NPC1 O15118 4/20 0.67
▸ ESRRG P62508 6/20 0.60
▸ LMNA P02545 1/20 0.52
▸ ESRRB O95718 1/20 0.52
▸ TMEM97 Q5BJF2 1/20 0.48
▸ SIGMAR1 Q99720 1/20 0.48
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ MLYCD O95822 2/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ NR1H4 Q96RI1 2/20 0.46
▸ EPHX2 P34913 1/20 0.45

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
SCHEMBL14860323 0.93 RAB9A (0.57) RAB9ANPC1ESRRGLMNATMEM97
SCHEMBL14859489 0.92 RAB9A (0.56) RAB9ANPC1ESRRGLMNATMEM97
SCHEMBL11952643 0.81 RAB9A (1.00) RAB9ANPC1ESRRGLMNAESRRB
SCHEMBL14859831 0.79 SIRT1 (0.49) ESRRGLMNATMEM97SIGMAR1MAPT
SCHEMBL14859853 0.79 CYP2C9 (0.55) RAB9ANPC1LMNAALDH1A1
SCHEMBL14859925 0.78 MAPT (0.52) RAB9ANPC1LMNAMAPTEPHX2
SCHEMBL14859856 0.78 RAB9A (0.56) RAB9ANPC1LMNAALDH1A1EPHX2
SCHEMBL14860007 0.78 KCNK9 (0.54) RAB9ANPC1LMNAHDAC8HDAC6
SCHEMBL14859535 0.78 SCN5A (0.56) RAB9ANPC1LMNAMLYCDALDH1A1
SCHEMBL14859138 0.77 NR1H4 (0.52) RAB9ANPC1LMNAHDAC8HDAC6

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 RAB9A 2456/4885NPC1 1260/4885ESRRG 4723/4885

“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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