SCHEMBL352191

SCHEMBL352191

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 6/20 1.00
▸ ALDH1A1 P00352 6/20 0.64
▸ PDPK1 O15530 2/20 0.64
▸ CYP1A2 P05177 2/20 0.64
▸ CYTH3 O43739 1/20 0.63
▸ KMT2A Q03164 3/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ KCNH2 Q12809 1/20 0.57
▸ MAPT P10636 3/20 0.52
▸ ALOX12 P18054 3/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ GAA P10253 3/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ PLA2G1B P04054 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ ATG4B Q9Y4P1 1/20 0.46

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
SCHEMBL17897765 0.95 AKT1 (0.91) AKT1ALDH1A1PDPK1CYP1A2CYTH3
SCHEMBL15777715 0.89 AKT1 (0.80) AKT1ALDH1A1PDPK1CYP1A2CYTH3
SCHEMBL17897762 0.88 AKT1 (0.79) AKT1ALDH1A1PDPK1CYP1A2CYTH3
SCHEMBL15777263 0.85 AKT1 (0.74) AKT1ALDH1A1PDPK1CYP1A2CYTH3
SCHEMBL17897763 0.85 AKT1 (0.74) AKT1ALDH1A1PDPK1CYP1A2CYTH3
SCHEMBL15788804 0.85 AKT1 (0.73) AKT1ALDH1A1PDPK1CYP1A2KMT2A
SCHEMBL15776744 0.85 AKT1 (0.73) AKT1ALDH1A1CYP1A2KMT2AMEN1
SCHEMBL15777497 0.84 AKT1 (0.73) AKT1ALDH1A1PDPK1CYTH3KMT2A
SCHEMBL17897751 0.83 AKT1 (0.71) AKT1ALDH1A1PDPK1CYP1A2CYTH3
SCHEMBL17897768 0.82 AKT1 (0.80) AKT1ALDH1A1PDPK1CYP1A2CYTH3

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 9 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
US-9040585-B2 Small molecule antagonists of phosphatidylinositol-3,4,5-triphosphate (PIP3) and uses thereof TUFTS UNIVERSITY (US) 2015-05-26 — — US disclosed
US-20140187639-A1 Small Molecule Antagonists of Phosphatidylinositol-3,4,5-Triphosphate (PIP3) and Uses Thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2014-07-03 — — 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
US-8628961-B2 Small molecule antagonists of phosphatidylinositol-3,4,5-triphosphate (PIP3) and uses thereof TUFTS UNIVERSITY (US) 2014-01-14 — — US disclosed
US-20120016033-A1 Small Molecule Antagonists of Phosphatidylinositol-3,4,5-Triphosphate (PIP3) and Uses Thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2012-01-19 — — 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 (3 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-20120016033-A1 Small Molecule Antagonists of Phosphatidylinositol-3,4,5-Triphosphate (PIP3) and Uses Thereof PIP5K1A, PIP5K1B, PIP4K2A AKT1 68/4885ALDH1A1 4808/4885PDPK1 61/4885
US-20160194279-A1 ONE POT PROCESS FOR THE CONVERSION OF AROYL CHLORIDES TO ACYL THIOUREAS TRRAP, NAT1, AHR AKT1 2603/4885ALDH1A1 445/4885PDPK1 4430/4885
US-20140187639-A1 Small Molecule Antagonists of Phosphatidylinositol-3,4,5-Triphosphate (PIP3) and Uses Thereof PIP5K1A, PIP5K1B, PIP4K2A AKT1 68/4885ALDH1A1 4808/4885PDPK1 61/4885

“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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