SCHEMBL17897769

SCHEMBL17897769

Cc1cc(C(=O)NC(=S)Nc2c(C)cc(C(F)(F)F)cc2O)cc(C(F)(F)F)c1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 6/20 0.77
▸ ALDH1A1 P00352 7/20 0.47
▸ LMNA P02545 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CYP1A2 P05177 2/20 0.46
▸ MAPT P10636 3/20 0.44
▸ ALOX12 P18054 3/20 0.44
▸ PDPK1 O15530 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ CYTH3 O43739 1/20 0.43
▸ GAA P10253 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ PLA2G1B P04054 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ATG4B Q9Y4P1 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40

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
SCHEMBL17897745 0.96 AKT1 (0.82) AKT1ALDH1A1LMNASMN1; SMN2CYP1A2
SCHEMBL351879 0.87 AKT1 (1.00) AKT1ALDH1A1LMNASMN1; SMN2CYP1A2
SCHEMBL17897752 0.87 AKT1 (0.79) AKT1ALDH1A1LMNASMN1; SMN2CYP1A2
SCHEMBL15777251 0.83 AKT1 (0.71) AKT1ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL17897754 0.83 AKT1 (0.61) AKT1ALDH1A1LMNACYP1A2MAPT
SCHEMBL17897746 0.83 AKT1 (0.64) AKT1ALDH1A1LMNACYP1A2MAPT
SCHEMBL17891678 0.81 AKT1 (0.82) AKT1ALDH1A1LMNACYP1A2MAPT
SCHEMBL17897751 0.81 AKT1 (0.71) AKT1ALDH1A1LMNASMN1; SMN2CYP1A2
SCHEMBL17897762 0.81 AKT1 (0.79) AKT1ALDH1A1LMNASMN1; SMN2CYP1A2
SCHEMBL17897767 0.81 AKT1 (0.68) AKT1ALDH1A1LMNASMN1; SMN2CYP1A2

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 445/4885LMNA 4750/4885

“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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