SCHEMBL930559

SCHEMBL930559

C=C[C@H](NC(=O)OCc1ccccc1)C(=O)OC

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 1/20 0.58
ALDH1A1 P00352 2/20 0.53
TRPM8 Q7Z2W7 1/20 0.53
ALOX15 P16050 1/20 0.53
KYNU Q16719 1/20 0.52
CTRB1 P17538 2/20 0.51
ATM Q13315 2/20 0.51
CTSK P43235 2/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL930561 1.00 MBOAT4 (0.58) MBOAT4ALDH1A1TRPM8ALOX15KYNU
SCHEMBL22747610 1.00 MBOAT4 (0.58) MBOAT4ALDH1A1TRPM8ALOX15KYNU
SCHEMBL8173806 0.91 CTRB1 (0.54) MBOAT4CTRB1ATMCTSKLMNA
SCHEMBL7372388 0.91 CTRB1 (0.54) MBOAT4CTRB1ATMCTSKLMNA
SCHEMBL17280899 0.89 ALDH1A1 (0.53) MBOAT4ALDH1A1ALOX15CTRB1ATM
SCHEMBL22118319 0.88 CTRB1 (0.54) MBOAT4CTRB1ATMCTSKLMNA
SCHEMBL14769904 0.88 CTRB1 (0.54) MBOAT4CTRB1ATMCTSKLMNA
SCHEMBL29014283 0.87 SYK (0.57) MBOAT4CTRB1ATMCTSKLMNA
SCHEMBL25875351 0.87 SYK (0.57) MBOAT4CTRB1ATMCTSKLMNA
SCHEMBL8232784 0.86 MBOAT4 (0.51) MBOAT4CTRB1ATMCTSKLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3897833-B1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMA (US) 2026-02-04 EP disclosed
US-20250042878-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMA (US) 2025-02-06 US disclosed
US-12060346-B2 Inhibitors of APOL1 and methods of using same VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-08-13 US disclosed
WO-2023194895-A1 PYRROL DERIVATIVES AS INHIBITORS OF APOLIPOPROTEIN L-1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-10-12 WO disclosed
WO-2023194895-A1 PYRROL DERIVATIVES AS INHIBITORS OF APOLIPOPROTEIN L-1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-10-12 WO disclosed
US-20230271945-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED 2023-08-31 US disclosed
US-20230271945-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED 2023-08-31 US disclosed
US-20230271945-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED 2023-08-31 US disclosed
US-11618746-B2 Inhibitors of APOL1 and methods of using same VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-04 US disclosed
US-11618746-B2 Inhibitors of APOL1 and methods of using same VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-04 US disclosed
US-20100137258-A1 THIOPHOSPHI(O)NIC ACID DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2010-06-03 US disclosed
US-20100137258-A1 THIOPHOSPHI(O)NIC ACID DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2010-06-03 US disclosed
US-20100137258-A1 THIOPHOSPHI(O)NIC ACID DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2010-06-03 US disclosed
EP-2183258-A2 THIOPHOSPHI(O)NIC ACID DERIVATIVES AND THEIR USE AS AGONISTS OR ANTAGONISTS FOR METABOTROPIC GLUTAMATE RECEPTORS Centre National de la Recherche Scientifique (CNRS) (FR) 2010-05-12 EP disclosed
US-20100086955-A1 Small Molecule Inhibitors of Ghrelin O-Acyltransferase UNIVERSITY OF TEXAS, BOARD OF REGENTS 2010-04-08 US disclosed
US-20090170813-A1 Hypophosphorous Acid Derivatives and their Therapeutical Applications CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2009-07-02 US disclosed
US-20090170813-A1 Hypophosphorous Acid Derivatives and their Therapeutical Applications CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2009-07-02 US disclosed
WO-2009016520-A2 THIOPHOSPHI(O)NIC ACID DERIVATIVES AND THEIR USE AS AGONISTS OR ANTAGONISTS FOR METABOTROPIC GLUTAMATE RECEPTORS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2009-02-05 WO disclosed
WO-2009016520-A2 THIOPHOSPHI(O)NIC ACID DERIVATIVES AND THEIR USE AS AGONISTS OR ANTAGONISTS FOR METABOTROPIC GLUTAMATE RECEPTORS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2009-02-05 WO disclosed
WO-2008048121-A2 MACROCYCLIC CYSTEINE PROTEASE INHIBITORS AND COMPOSITIONS THEREOF LINCOLN UNIVERSITY (NZ) 2008-04-24 WO 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 (7 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-20230271945-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME APOL1, APOB, SAAL1 MBOAT4 3193/4885ALDH1A1 3319/4885TRPM8 4144/4885
US-12060346-B2 Inhibitors of APOL1 and methods of using same APOL1, APOB, SAAL1 MBOAT4 3193/4885ALDH1A1 3319/4885TRPM8 4144/4885
US-20100137258-A1 THIOPHOSPHI(O)NIC ACID DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS C1R, TLR9, CBR1 MBOAT4 1249/4885ALDH1A1 2913/4885TRPM8 639/4885
US-20250042878-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME APOL1, APOB, SAAL1 MBOAT4 3193/4885ALDH1A1 3319/4885TRPM8 4144/4885
US-20090170813-A1 Hypophosphorous Acid Derivatives and their Therapeutical Applications P4HA1, CYP2R1, EGLN3 MBOAT4 1541/4885ALDH1A1 2089/4885TRPM8 3438/4885
US-11618746-B2 Inhibitors of APOL1 and methods of using same APOL1, APOB, NPC1L1 MBOAT4 2924/4885ALDH1A1 3269/4885TRPM8 4173/4885
US-20100086955-A1 Small Molecule Inhibitors of Ghrelin O-Acyltransferase MBOAT4, MOGAT2, DGAT1 MBOAT4 1/4885ALDH1A1 2433/4885TRPM8 4108/4885

“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.