SCHEMBL350752

SCHEMBL350752

Cc1cc(C)cc(C(=O)NC(=S)Nc2cc(-c3ccccc3)ccc2O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 3/20 1.00
▸ PDPK1 O15530 2/20 1.00
▸ CYTH3 O43739 1/20 0.63
▸ ALDH1A1 P00352 6/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ MAPT P10636 3/20 0.60
▸ GAA P10253 2/20 0.60
▸ ALOX12 P18054 1/20 0.60
▸ LMNA P02545 1/20 0.59
▸ HDAC1 Q13547 6/20 0.58
▸ HDAC2 Q92769 1/20 0.58
▸ KMT2A Q03164 3/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ NPC1 O15118 2/20 0.57
▸ RAB9A P51151 2/20 0.57
▸ KDM4E B2RXH2 2/20 0.56
▸ APOBEC3A P31941 1/20 0.56
▸ GFER P55789 1/20 0.56
▸ APOBEC3G Q9HC16 1/20 0.56
▸ POLB P06746 1/20 0.51

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
SCHEMBL17897768 0.89 AKT1 (0.80) AKT1PDPK1CYTH3ALDH1A1SMN1; SMN2
SCHEMBL15778848 0.85 PDPK1 (0.73) AKT1PDPK1ALDH1A1SMN1; SMN2MAPT
SCHEMBL17897759 0.85 PDPK1 (0.73) AKT1PDPK1ALDH1A1SMN1; SMN2MAPT
SCHEMBL15777497 0.84 AKT1 (0.73) AKT1PDPK1CYTH3ALDH1A1SMN1; SMN2
SCHEMBL17897758 0.84 AKT1 (0.73) AKT1PDPK1CYTH3ALDH1A1SMN1; SMN2
SCHEMBL15778299 0.84 AKT1 (0.72) AKT1PDPK1CYTH3ALDH1A1SMN1; SMN2
SCHEMBL14859594 0.83 AKT1 (0.71) AKT1PDPK1ALDH1A1SMN1; SMN2MAPT
SCHEMBL15778850 0.82 AKT1 (0.70) AKT1PDPK1ALDH1A1SMN1; SMN2MAPT
SCHEMBL15777371 0.81 AKT1 (0.68) AKT1PDPK1CYTH3ALDH1A1SMN1; SMN2
SCHEMBL352191 0.78 AKT1 (1.00) AKT1PDPK1CYTH3ALDH1A1SMN1; SMN2

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 68/4885PDPK1 61/4885CYTH3 109/4885
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
US-20140187639-A1 Small Molecule Antagonists of Phosphatidylinositol-3,4,5-Triphosphate (PIP3) and Uses Thereof PIP5K1A, PIP5K1B, PIP4K2A AKT1 68/4885PDPK1 61/4885CYTH3 109/4885

“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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