SCHEMBL17897763

SCHEMBL17897763

Cc1cc(C(=O)NC(=S)Nc2cc(Cl)ccc2O)cc(C(F)(F)F)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 5/20 0.74
▸ ALDH1A1 P00352 5/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ MAPT P10636 3/20 0.55
▸ PDPK1 O15530 2/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ CYTH3 O43739 1/20 0.54
▸ KCNH2 Q12809 1/20 0.49
▸ GAA P10253 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ CHRNA7 P36544 1/20 0.48
▸ CXCR5 P32302 1/20 0.48
▸ APLNR P35414 1/20 0.48
▸ CCR6 P51684 1/20 0.48
▸ ALOX12 P18054 1/20 0.47
▸ NPSR1 Q6W5P4 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
SCHEMBL15777809 0.92 AKT1 (0.64) AKT1ALDH1A1KMT2AMAPTMEN1
SCHEMBL17897766 0.91 AKT1 (0.64) AKT1ALDH1A1KMT2AMAPTPDPK1
SCHEMBL17897762 0.90 AKT1 (0.79) AKT1ALDH1A1KMT2AMAPTPDPK1
SCHEMBL17897765 0.90 AKT1 (0.91) AKT1ALDH1A1KMT2AMAPTPDPK1
SCHEMBL15777371 0.89 AKT1 (0.68) AKT1ALDH1A1KMT2AMAPTPDPK1
SCHEMBL17897751 0.85 AKT1 (0.71) AKT1ALDH1A1KMT2AMAPTPDPK1
SCHEMBL352191 0.85 AKT1 (1.00) AKT1ALDH1A1KMT2AMAPTPDPK1
SCHEMBL15777263 0.85 AKT1 (0.74) AKT1ALDH1A1KMT2AMAPTPDPK1
SCHEMBL17897768 0.84 AKT1 (0.80) AKT1ALDH1A1KMT2AMAPTPDPK1
SCHEMBL17897755 0.83 AKT1 (0.80) AKT1ALDH1A1KMT2AMAPTPDPK1

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 1 patent. 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

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 445/4885KMT2A 797/4885

“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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