SCHEMBL15788804

SCHEMBL15788804

COc1ccc(C(F)(F)F)cc1NC(=S)NC(=O)c1cc(C)cc(C)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 3/20 0.73
▸ ALDH1A1 P00352 6/20 0.60
▸ CYP1A2 P05177 2/20 0.60
▸ KMT2A Q03164 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ KCNH2 Q12809 1/20 0.54
▸ EPHX1 P07099 1/20 0.54
▸ MAPT P10636 6/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ KDM4E B2RXH2 3/20 0.51
▸ HPGD P15428 1/20 0.51
▸ ALOX12 P18054 3/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ HTT P42858 2/20 0.48
▸ RAF1 P04049 1/20 0.47
▸ POLB P06746 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
SCHEMBL17897764 0.96 AKT1 (0.67) AKT1ALDH1A1CYP1A2KMT2AMEN1
SCHEMBL17891673 0.91 AKT1 (0.60) AKT1ALDH1A1CYP1A2KMT2AMEN1
SCHEMBL15788818 0.89 AKT1 (0.57) AKT1ALDH1A1CYP1A2KMT2AMEN1
SCHEMBL17891689 0.88 ALDH1A1 (0.69) AKT1ALDH1A1CYP1A2KMT2AMEN1
SCHEMBL352191 0.85 AKT1 (1.00) AKT1ALDH1A1CYP1A2KMT2AMEN1
SCHEMBL17897757 0.84 AKT1 (0.60) AKT1ALDH1A1CYP1A2KMT2AMEN1
SCHEMBL17897765 0.81 AKT1 (0.91) AKT1ALDH1A1CYP1A2KMT2AMEN1
SCHEMBL17897759 0.80 PDPK1 (0.73) AKT1ALDH1A1KMT2AMEN1EPHX1
SCHEMBL3755964 0.79 MAPT (0.78) ALDH1A1CYP1A2KMT2AMEN1MAPT
SCHEMBL15777246 0.78 PDPK1 (0.53) AKT1ALDH1A1KMT2AMEN1KCNH2

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 5 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 claimed
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-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-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
WO-2014087431-A1 ONE POT PROCESS FOR THE CONVERSION OF AROYL CHLORIDES TO ACYL THIOUREAS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-06-12 — — WO 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 2603/4885ALDH1A1 445/4885CYP1A2 222/4885

“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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