SCHEMBL113522

SCHEMBL113522

COc1cc(C(=O)O)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA7 P43166 1/20 0.53
TPMT P51580 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
PYGL P06737 5/20 0.50
HTT P42858 3/20 0.50
ABCC9 O60706 1/20 0.48
ABCC8 Q09428 1/20 0.48
KCNJ11 Q14654 1/20 0.48
KCNJ8 Q15842 1/20 0.48
RAB9A P51151 3/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 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
SCHEMBL8508438 0.92 CA12 (0.46) CA12CA1CA2CA4CA6
SCHEMBL30362191 0.89 PPARG (0.55) CA12CA1CA2CA4CA6
SCHEMBL31104508 0.89 MAPT (0.50) PYGLHTTABCC9ABCC8KCNJ11
SCHEMBL3982009 0.89 PPARG (0.55) CA12CA1CA2CA4CA6
SCHEMBL11959263 0.89 MAPT (0.50) PYGLHTTABCC9ABCC8KCNJ11
SCHEMBL10105362 0.86 CA12 (0.61) CA12CA1CA2CA4CA6
SCHEMBL31597010 0.86 ELANE (0.43) CA12CA1CA2CA4CA6
SCHEMBL16114813 0.86 TSHR (0.55) CA12CA1CA2CA4CA6
SCHEMBL3256083 0.85 NPC1 (0.54) MEN1KMT2AMAPK1ALDH1A1HPGD
SCHEMBL17047591 0.85 TSHR (0.52) RAB9ALMNATSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814373-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2023-11-14 US disclosed
US-20230312539-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. 2023-10-05 US disclosed
US-20160032047-A1 Peg-based adhesive phenylic derivatives and methods of synthesis and use DSM IP ASSETS B.V. (NL) 2016-02-04 US disclosed
EP-2968667-A1 PEG-BASED ADHESIVE PHENYLIC DERIVATIVES AND METHODS OF SYNTHESIS AND USE DSM IP Assets B.V. (NL) 2016-01-20 EP disclosed
WO-2014158288-A1 PEG-BASED ADHESIVE PHENYLIC DERIVATIVES AND METHODS OF SYNTHESIS AND USE DSM IP ASSETS B.V. (NL) 2014-10-02 WO disclosed
EP-2424840-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-08-06 EP disclosed
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
EP-2424840-A1 CXCR3 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-03-07 EP disclosed
EP-0986384-B1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2012-02-22 EP disclosed
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 US disclosed
US-6221865-B1 INHIBITORS OF PROTEIN FARNESYLTRANSFERASE AND PROTEIN GERANYLGERANYLTRANSFERASE. UNIVERSITY OF PITTSBURGH 2001-04-24 US disclosed
US-6204293-B1 INHIBITING POST-TRANSLATIONAL MODIFICATION OF THE ONCOGENIC RAS PROTEIN BY PROTEIN FARNESYLTRANSFERASE, PROTEIN GERANYLGERANYLTRANSFERASE, OR BOTH UNIVERSITY OF PITTSBURGH 2001-03-20 US disclosed
EP-0986384-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 2000-03-22 EP disclosed
US-5965539-A PEPTIDOMIMETICS; ANTI-CANCER DRUGS UNIVERISTY OF PITTSBURGH (US) 1999-10-12 US disclosed
EP-0794789-A4 INHIBITORS OF PRENYL TRANSFERASES UNIV PITTSBURGH (US) 1999-05-26 EP disclosed
WO-1998050029-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-11-12 WO disclosed
WO-1998050031-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-11-12 WO disclosed
US-5834434-A PEPTIDOMIMETICS UNIVERSITY OF PITTSBURGH (US) 1998-11-10 US disclosed
EP-0794789-A1 INHIBITORS OF PRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1997-09-17 EP disclosed
WO-1996021456-A1 INHIBITORS OF PRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1996-07-18 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 (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-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 CA12 3962/4885CA1 3870/4885CA2 3060/4885
US-20230312539-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION TP53, TP53BP1, KRAS CA12 3754/4885CA1 2828/4885CA2 3501/4885
US-11814373-B2 Methods and compounds for restoring mutant p53 function TP53, TP53BP1, KRAS CA12 3754/4885CA1 2828/4885CA2 3501/4885

“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.