SCHEMBL1018101

SCHEMBL1018101

CC(C)(C)OC(=O)c1cc(CN)ccc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.40
ALDH1A1 P00352 4/20 0.39
LOXL2 Q9Y4K0 2/20 0.39
CDC25B P30305 1/20 0.39
CASP6 P55212 1/20 0.39
RCE1 Q9Y256 1/20 0.39
NR1H2 P55055 5/20 0.39
CFD P00746 1/20 0.38
RXRA P19793 4/20 0.37
NR1H3 Q13133 2/20 0.37
KLKB1 P03952 1/20 0.37
CTSB P07858 1/20 0.37
MMP9 P14780 1/20 0.37
DNMT1 P26358 1/20 0.37
DNMT3B Q9UBC3 1/20 0.37
DNMT3L Q9UJW3 1/20 0.37
DNMT3A Q9Y6K1 1/20 0.37
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL8246361 0.83 LOXL2 (0.44) SLC7A5LOXL2NR1H2RXRANR1H3
SCHEMBL12979162 0.83 ALDH1A1 (0.41) SLC7A5ALDH1A1LOXL2NR1H2RXRA
SCHEMBL10830173 0.83 NR1H2 (0.42) SLC7A5ALDH1A1LOXL2NR1H2RXRA
SCHEMBL17019083 0.82 CSNK2A1 (0.42) SLC7A5LOXL2NR1H2MAPTNR1H4
SCHEMBL27607085 0.82 LOXL2 (0.39) SLC7A5ALDH1A1LOXL2NR1H2RXRA
SCHEMBL27537755 0.81 SLC7A5 (0.39) SLC7A5ALDH1A1LOXL2CDC25BCASP6
SCHEMBL27916740 0.81 METAP2 (0.43) SLC7A5ALDH1A1CDC25BCASP6RCE1
SCHEMBL7551249 0.81 NR1H2 (0.49) SLC7A5LOXL2NR1H2CFDRXRA
Ethane SCHEMBL7191052 0.80 METAP2 (0.42) SLC7A5ALDH1A1CDC25BCASP6RCE1
SCHEMBL6451619 0.80 ALDH1A1 (0.52) ALDH1A1LOXL2CDC25BCASP6RCE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2024-04-11 US disclosed
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2023-08-24 US disclosed
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2021-03-11 US disclosed
US-20200190030-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2020-06-18 US disclosed
US-20180258043-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2018-09-13 US disclosed
US-20180029984-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2018-02-01 US disclosed
US-9790183-B2 Pyridyl inhibitors of hedgehog signalling GENENTECH, INC. (US) 2017-10-17 US disclosed
US-20170015627-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2017-01-19 US disclosed
US-20160152569-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2016-06-02 US disclosed
US-9321761-B2 Pyridyl inhibitors of hedgehog signalling CURIS, INC. (US) 2016-04-26 US disclosed
US-5635477-A CYCLIC TETRAPEPTIDE DERIVATIVE FUSED TO A BENZENE RING; ANTICOAGULANTS; THROMBOLYTICS; CLOT LYSIS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-06-03 US disclosed
EP-0763016-A1 COMPOSITIONS AND METHODS FOR TREATING MAST-CELL MEDIATED CONDITIONS ARRIS PHARMACEUTICAL CORPORATION (US) 1997-03-19 EP disclosed
EP-0692982-A1 RADIOLABELED PLATELET GPIIb/IIIa RECEPTOR ANTAGONISTS AS IMAGING AGENTS FOR THE DIAGNOSIS OF THROMBOEMBOLIC DISORDERS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-24 EP disclosed
EP-0691987-A1 CYCLIC COMPOUNDS USEFUL AS INHIBITORS OF PLATELET GLYCOPROTEIN IIb/IIIa THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-17 EP disclosed
WO-1995032945-A1 COMPOSITIONS AND METHODS FOR TREATING MAST-CELL MEDIATED CONDITIONS ARRIS PHARMACEUTICAL CORPORATION (US) 1995-12-07 WO disclosed
WO-1995023811-A1 NOVEL CARBOCYCLIC COMPOUNDS WHICH INHIBIT PLATELET AGGREGATION BY INTERACTION WITH THE GPIIB/IIIA RECEPTOR COMPLEX THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-09-08 WO disclosed
EP-0625164-A1 CYCLIC COMPOUNDS USEFUL AS INHIBITORS OF PLATELET GLYCOPROTEIN IIb/IIIa THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-11-23 EP disclosed
WO-1994022910-A1 CYCLIC COMPOUNDS USEFUL AS INHIBITORS OF PLATELET GLYCOPROTEIN IIb/IIIa THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-10-13 WO disclosed
WO-1994022494-A1 RADIOLABELED PLATELET GPIIb/IIIa RECEPTOR ANTAGONISTS AS IMAGING AGENTS FOR THE DIAGNOSIS OF THROMBOEMBOLIC DISORDERS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-10-13 WO disclosed
WO-1993007170-A1 CYCLIC COMPOUNDS USEFUL AS INHIBITORS OF PLATELET GLYCOPROTEIN IIb/IIIa THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-04-15 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 (8 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-20200190030-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO SLC7A5 3207/4885ALDH1A1 2407/4885LOXL2 2504/4885
US-20160152569-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO SLC7A5 3207/4885ALDH1A1 2407/4885LOXL2 2504/4885
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO SLC7A5 3207/4885ALDH1A1 2407/4885LOXL2 2504/4885
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING SHH, GLI1, SMO SLC7A5 3177/4885ALDH1A1 2371/4885LOXL2 2413/4885
US-20180029984-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO SLC7A5 3207/4885ALDH1A1 2407/4885LOXL2 2504/4885
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO SLC7A5 3207/4885ALDH1A1 2407/4885LOXL2 2504/4885
US-20180258043-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO SLC7A5 3207/4885ALDH1A1 2407/4885LOXL2 2504/4885
US-20170015627-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO SLC7A5 3207/4885ALDH1A1 2407/4885LOXL2 2504/4885

“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.