SCHEMBL1769880

SCHEMBL1769880

Cc1cnc(C(=O)O)c(C)c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NOTUM Q6P988 1/20 0.36
LDHA P00338 2/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 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
SCHEMBL1747657 0.83 CYP3A4 (0.39) KDM4EKMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL7788149 0.83 GABRP (0.38) KDM4EKMT2AALDH1A1LDHAGABRP
SCHEMBL28331329 0.81 KDM4E (0.48) KDM4EKMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL21825916 0.79 LDHA (0.40) KDM4EKMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL7666078 0.79 LDHA (0.36) KDM4EKMT2AALDH1A1MAPK1LDHA
SCHEMBL28180665 0.79 AGXT (0.45) KDM4EKMT2AALDH1A1MAPK1GABRP
SCHEMBL16445970 0.78 KDM4E (0.46) KDM4EKMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL7672020 0.78 HCAR2 (0.41) KDM4EKMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL21826454 0.75 KDM4E (0.38) KDM4EKMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL978399 0.74 KDM4E (0.50) KDM4EKMT2AALDH1A1MAPK1SMN1; 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
EP-1352629-B1 Use of a pyridine-dicarboxylic acid derivative or a salt thereof to stimulate or induce keratinic fiber growth and/or to prevent its loss OREAL (FR) 2011-06-22 EP claimed
US-20090215837-A1 ADMINISTRATION OF PYRIDINEDICARBOXYLIC ACID COMPOUNDS FOR STIMULATING OR INDUCING THE GROWTH OF HUMAN KERATINOUS FIBERS AND/OR ARRESTING THEIR LOSS L'OREAL 2009-08-27 US claimed
US-9266902-B2 Labelling reagents having a pyridine nucleus bearing a diazomethyl function, process for synthesis of such reagents and processes for detection of biological molecules BIOMERIEUX (FR) 2016-02-23 US disclosed
US-20110111514-A1 LABELLING REAGENTS HAVING A PYRIDINE NUCLEUS BEARING A DIAZOMETHYL FUNCTION, PROCESS FOR SYNTHESIS OF SUCH REAGENTS AND PROCESSES FOR DETECTION OF BIOLOGICAL MOLECULES BIOMERIEUX (FR) 2011-05-12 US disclosed
US-20100105741-A1 ADMINISTRATION OF PYRIDINEDICARBOXYLIC ACID COMPOUNDS FOR STIMULATING OR INDUCING THE GROWTH OF HUMAN KERATINOUS FIBERS AND/OR ARRESTING THEIR LOSS L'OREAL (FR) 2010-04-29 US disclosed
US-20090215837-A1 ADMINISTRATION OF PYRIDINEDICARBOXYLIC ACID COMPOUNDS FOR STIMULATING OR INDUCING THE GROWTH OF HUMAN KERATINOUS FIBERS AND/OR ARRESTING THEIR LOSS L'OREAL 2009-08-27 US disclosed
US-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents BAYER PHARMACEUTICALS CORPORATION (US) 2008-11-27 US disclosed
EP-0069033-B1 HERBICIDAL AMIDE AND ESTER DERIVATIVES OF PYRIDINE, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION RHONE-POULENC AGROCHIMIE (FR) 1985-09-04 EP disclosed
EP-0069033-A1 Herbicidal amide and ester derivatives of pyridine, process for their preparation and their application RHONE-POULENC AGROCHIMIE (FR) 1983-01-05 EP 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 (4 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-20110111514-A1 LABELLING REAGENTS HAVING A PYRIDINE NUCLEUS BEARING A DIAZOMETHYL FUNCTION, PROCESS FOR SYNTHESIS OF SUCH REAGENTS AND PROCESSES FOR DETECTION OF BIOLOGICAL MOLECULES DUT, NCL, POLRMT KDM4E 1099/4885KMT2A 300/4885ALDH1A1 2683/4885
US-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents ABCC3, HCCS, ABCC2 KDM4E 975/4885KMT2A 519/4885ALDH1A1 611/4885
US-20100105741-A1 ADMINISTRATION OF PYRIDINEDICARBOXYLIC ACID COMPOUNDS FOR STIMULATING OR INDUCING THE GROWTH OF HUMAN KERATINOUS FIBERS AND/OR ARRESTING THEIR LOSS AKR1C3, MC1R, KRT18 KDM4E 1459/4885KMT2A 2563/4885ALDH1A1 1657/4885
US-20090215837-A1 ADMINISTRATION OF PYRIDINEDICARBOXYLIC ACID COMPOUNDS FOR STIMULATING OR INDUCING THE GROWTH OF HUMAN KERATINOUS FIBERS AND/OR ARRESTING THEIR LOSS AKR1C3, MC1R, KRT18 KDM4E 1459/4885KMT2A 2563/4885ALDH1A1 1657/4885

“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.