SCHEMBL14859224

SCHEMBL14859224

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.77
▸ ALOX12 P18054 7/20 0.77
▸ RAB9A P51151 6/20 0.75
▸ NPC1 O15118 2/20 0.75
▸ ESRRG P62508 3/20 0.67
▸ MEN1 O00255 3/20 0.66
▸ KMT2A Q03164 3/20 0.66
▸ SMN1; SMN2 Q16637 3/20 0.66
▸ MAPT P10636 2/20 0.66
▸ HTT P42858 1/20 0.66
▸ CYP1A2 P05177 2/20 0.65
▸ CYP3A4 P08684 2/20 0.65
▸ CYP2C9 P11712 2/20 0.65
▸ CYP2C19 P33261 2/20 0.65
▸ CYP2D6 P10635 1/20 0.62
▸ NPSR1 Q6W5P4 1/20 0.62
▸ POLB P06746 2/20 0.61
▸ KCNH2 Q12809 1/20 0.60
▸ LMNA P02545 3/20 0.60
▸ HPGD P15428 2/20 0.60

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
SCHEMBL14865706 0.92 ALDH1A1 (0.65) ALDH1A1ALOX12RAB9ANPC1ESRRG
SCHEMBL14859488 0.91 ALDH1A1 (0.64) ALDH1A1ALOX12RAB9ANPC1ESRRG
SCHEMBL15434970 0.87 ALDH1A1 (1.00) ALDH1A1ALOX12RAB9ANPC1MEN1
SCHEMBL11952643 0.86 RAB9A (1.00) RAB9ANPC1ESRRGSMN1; SMN2MAPT
SCHEMBL14860309 0.83 ALDH1A1 (0.60) ALDH1A1ALOX12RAB9ANPC1ESRRG
SCHEMBL23068177 0.81 ALDH1A1 (0.81) ALDH1A1ALOX12RAB9ANPC1ESRRG
SCHEMBL12069271 0.81 ALDH1A1 (0.81) ALDH1A1ALOX12RAB9ANPC1MEN1
SCHEMBL10480358 0.81 RAB9A (0.62) ALDH1A1RAB9ANPC1ESRRGSMN1; SMN2
SCHEMBL8750170 0.81 ALDH1A1 (0.75) ALDH1A1ALOX12RAB9ANPC1MEN1
SCHEMBL21357791 0.80 ALDH1A1 (0.83) ALDH1A1ALOX12RAB9ANPC1MEN1

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 6 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
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
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 ALDH1A1 1884/4885ALOX12 2922/4885RAB9A 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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