SCHEMBL17897760

SCHEMBL17897760

Cc1cc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2O)cc(C(F)(F)F)c1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 3/20 0.67
▸ PDPK1 O15530 1/20 0.67
▸ CYTH3 O43739 1/20 0.67
▸ RAB9A P51151 2/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ ALDH1A1 P00352 5/20 0.52
▸ MEN1 O00255 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ EPHX1 P07099 1/20 0.49
▸ HTT P42858 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ CYP1A2 P05177 1/20 0.47

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
SCHEMBL15778295 0.93 AKT1 (0.58) AKT1PDPK1CYTH3RAB9ANPC1
SCHEMBL17897755 0.92 AKT1 (0.80) AKT1PDPK1CYTH3RAB9ANPC1
SCHEMBL15777209 0.90 AKT1 (0.83) AKT1PDPK1CYTH3RAB9ANPC1
SCHEMBL15778899 0.89 AKT1 (0.66) AKT1PDPK1CYTH3RAB9ANPC1
SCHEMBL28897000 0.87 RAB9A (0.57) AKT1PDPK1CYTH3RAB9ANPC1
SCHEMBL17897767 0.86 AKT1 (0.68) AKT1PDPK1CYTH3ALDH1A1MEN1
SCHEMBL17897750 0.85 PDPK1 (0.71) AKT1PDPK1CYTH3RAB9ANPC1
SCHEMBL15777853 0.84 AKT1 (0.71) AKT1PDPK1CYTH3RAB9ANPC1
SCHEMBL17897766 0.83 AKT1 (0.64) AKT1PDPK1CYTH3RAB9ANPC1
SCHEMBL28437415 0.83 PDPK1 (0.68) AKT1PDPK1CYTH3RAB9ANPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160194279-A1 ONE POT PROCESS FOR THE CONVERSION OF AROYL CHLORIDES TO ACYL THIOUREAS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-07-07 — — US disclosed
US-9061063-B2 Biodegradable lipids for the delivery of active agents ALNYLAM PHARMACEUTICALS, INC. (US) 2015-06-23 — — 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-20160194279-A1 ONE POT PROCESS FOR THE CONVERSION OF AROYL CHLORIDES TO ACYL THIOUREAS TRRAP, NAT1, AHR AKT1 2603/4885PDPK1 4430/4885CYTH3 2061/4885

“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.

Send feedback