SCHEMBL1258429

SCHEMBL1258429

Cc1ccc(S(=O)(=O)OC[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.56
P2RX7 Q99572 2/20 0.49
CTSL P07711 2/20 0.48
APP P05067 4/20 0.47
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
ALDH1A1 P00352 5/20 0.46
TSHR P16473 3/20 0.46
LMNA P02545 4/20 0.46
HPGD P15428 4/20 0.46
HTT P42858 4/20 0.46
NPSR1 Q6W5P4 4/20 0.46
PKM P14618 3/20 0.46
KMT2A Q03164 2/20 0.46
XBP1 P17861 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 1/20 0.46
ALOX15 P16050 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CTSS P25774 2/20 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
SCHEMBL1258432 1.00 ATM (0.56) ATMP2RX7CTSLAPPCA2
SCHEMBL9272213 0.92 BCL2 (0.54) ATMP2RX7
SCHEMBL12438983 0.87 PPARG (0.45) ATMP2RX7LMNAKMT2A
SCHEMBL8196805 0.86 KLK5 (0.53) ATMP2RX7CTSLAPPALDH1A1
SCHEMBL8685847 0.86 KLK5 (0.53) ATMP2RX7CTSLAPPALDH1A1
SCHEMBL14189470 0.86 KLK5 (0.53) ATMP2RX7CTSLAPPALDH1A1
SCHEMBL9476901 0.86 CTRB1 (0.56) P2RX7CTSLCA2LMNACTSK
SCHEMBL29255314 0.85 ALDH1A1 (0.44) ATMP2RX7CA2CA7ALDH1A1
SCHEMBL8193095 0.85 ALDH1A1 (0.43) ATMP2RX7CA2CA7ALDH1A1
SCHEMBL1764913 0.84 ALDH1A1 (0.42) ATMP2RX7CA2CA7ALDH1A1

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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900666-B1 AZAQUINAZOLINE INHIBITORS OF ATYPICAL PROTEIN KINASE C CANCER RESEARCH TECH LTD (GB) 2020-11-04 EP disclosed
EP-2900666-B1 AZAQUINAZOLINE INHIBITORS OF ATYPICAL PROTEIN KINASE C CANCER RESEARCH TECH LTD (GB) 2020-11-04 EP disclosed
US-20190038611-A1 Novel CYP34A-Specific Inhibitors and Methods of Using Same THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-02-07 US disclosed
US-9914730-B2 Azaquinazoline inhibitors of Atypical protein Kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-03-13 US disclosed
US-9914730-B2 Azaquinazoline inhibitors of Atypical protein Kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-03-13 US disclosed
US-9896446-B2 Azaquinazoline inhibitors of atypical protein kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-02-20 US disclosed
US-9896446-B2 Azaquinazoline inhibitors of atypical protein kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-02-20 US disclosed
US-9849107-B2 Compositions and methods for inhibiting cytochrome P450 SEQUOIA PHARMACEUTICALS, INC. (US) 2017-12-26 US disclosed
US-20160361287-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 SEQUOIA PHARMACEUTICALS, INC. 2016-12-15 US disclosed
US-20160102094-A1 Azaquinazoline Inhibitors of Atypical Protein Kinase C IGNYTA, INC. (US) 2016-04-14 US disclosed
WO-2009105782-A1 HIV PROTEASE INHIBITOR AND CYTOCHROME P450 INHIBITOR COMBINATIONS SEQUOIA PHARMACEUTICALS, INC. (US) 2009-08-27 WO disclosed
US-20090023228-A1 Dual-acting Imidazole antihypertensive agents THERAVANCE, INC. 2009-01-22 US disclosed
US-20090023228-A1 Dual-acting Imidazole antihypertensive agents THERAVANCE, INC. 2009-01-22 US disclosed
WO-2008133896-A2 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2008-11-06 WO disclosed
US-20080269305-A1 R)-N-{2-Butyl-3-[2'-(2H-tetrazol-5-yl)biphenyl-4-ylmethyl]-3H-imidazol-4-ylmethyl}-2-(2-hydroxycarbamoyl-3-phenyl-propionylamino)succinamic Acid; AT1 receptor antagonist and neprilysin (NEP) enzyme inhibition activity; hypertension, heart failure THERAVANCE, INC. 2008-10-30 US disclosed
US-20080269305-A1 R)-N-{2-Butyl-3-[2'-(2H-tetrazol-5-yl)biphenyl-4-ylmethyl]-3H-imidazol-4-ylmethyl}-2-(2-hydroxycarbamoyl-3-phenyl-propionylamino)succinamic Acid; AT1 receptor antagonist and neprilysin (NEP) enzyme inhibition activity; hypertension, heart failure THERAVANCE, INC. 2008-10-30 US disclosed
US-20080113945-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 SEQUOIA PHARMACEUTICALS, INC. (US) 2008-05-15 US disclosed
US-20080113945-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 SEQUOIA PHARMACEUTICALS, INC. (US) 2008-05-15 US disclosed
US-4631270-A THIOMETHYLENE REPLACEMENTS RESEARCH CORPORATION (US) 1986-12-23 US disclosed
US-4513009-A GLYCINE, ALANINE AND SERINE DERIVATIVES SOCIETE CIVILE BIOPROJET (FR) 1985-04-23 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 (6 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-20080113945-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 CYP3A43, CYP2E1, CYP7A1 ATM 3866/4885P2RX7 1875/4885CTSL 1919/4885
US-20080269305-A1 R)-N-{2-Butyl-3-[2'-(2H-tetrazol-5-yl)biphenyl-4-ylmethyl]-3H-imidazol-4-ylmethyl}-2-(2-hydroxycarbamoyl-3-phenyl-propionylamino)succinamic Acid; AT1 receptor antagonist and neprilysin (NEP) enzyme inhibition activity; hypertension, heart failure AGTR2, REN, AGTR1 ATM 4862/4885P2RX7 509/4885CTSL 250/4885
US-20160102094-A1 Azaquinazoline Inhibitors of Atypical Protein Kinase C PRKCQ, PRKCZ, PRKCE ATM 698/4885P2RX7 2924/4885CTSL 3929/4885
US-20160361287-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 CYP3A43, CYP2E1, CYP7A1 ATM 3866/4885P2RX7 1875/4885CTSL 1919/4885
US-20090023228-A1 Dual-acting Imidazole antihypertensive agents AGTR1, AGTR2, REN ATM 3754/4885P2RX7 171/4885CTSL 722/4885
US-20190038611-A1 Novel CYP34A-Specific Inhibitors and Methods of Using Same CYP3A43, CYP3A4, CYP4B1 ATM 4850/4885P2RX7 1376/4885CTSL 1549/4885

“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.