SCHEMBL9686224

SCHEMBL9686224

CCOC(=O)C(C=O)CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.38
ALDH1A1 P00352 6/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2D6 P10635 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
PIN1 Q13526 1/20 0.34
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
GLO1 Q04760 1/20 0.32

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
SCHEMBL4685380 0.83 ALDH1A1 (0.41) HCAR2ALDH1A1MEN1NPC1KMT2A
SCHEMBL271883 0.83 MGAM (0.44) ALDH1A1KMT2ACYP2D6LMNAHSD17B10
SCHEMBL27839156 0.82 HCAR2 (0.36) HCAR2ALDH1A1MEN1NPC1KMT2A
SCHEMBL5200303 0.81 KMT2A (0.36) KMT2ASMN1; SMN2ALOX15EGLN1TSHR
SCHEMBL1495985 0.80 ALDH1A1 (0.42) HCAR2ALDH1A1MEN1NPC1KMT2A
SCHEMBL11603118 0.77 MAPT (0.38) ALOX15SLC22A6
SCHEMBL14362323 0.77 ALDH1A1 (0.39) HCAR2ALDH1A1CYP2D6SMN1; SMN2LMNA
SCHEMBL1516015 0.77 ALDH1A1 (0.39) HCAR2ALDH1A1KMT2ACYP2D6LMNA
SCHEMBL9127668 0.77 ALDH1A1 (0.39) HCAR2ALDH1A1CYP2D6SMN1; SMN2LMNA
SCHEMBL9792742 0.76 CASP1 (0.37) SMN1; SMN2TSHR

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
CN-103534241-B Fak inhibitor Cancer Therapeutics CRC Pty Ltd. (AU) 2015-11-25 CN disclosed
CN-103534241-A Fak inhibitor CANCER THERAPEUTICS CRC PTY LTD 2014-01-22 CN disclosed
US-8541455-B2 Derivatives of 2-pyridin-2-yl-pyrazol-3(2H)-one, preparation and therapeutic use thereof as HIF activators SANOFI (FR) 2013-09-24 US disclosed
US-20110294788-A1 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF AS HIF ACTIVATORS SANOFI (FR) 2011-12-01 US disclosed
CN-100584844-C Imidazole [1,2-C] pyrimidyl acetic acid derivs ACTIMIS PHARMACEUTICALS INC 2010-01-27 CN disclosed
CN-1938310-A Imidazo 1,2-c pyrimidinylacetic acid derivatives ACTIMIS PHARMACEUTICALS INC (US) 2007-03-28 CN disclosed
EP-0188094-B1 QUINAZOLINE DERIVATIVES AND ANTIHYPERTENSIVE PREPARATIONS CONTAINING SAME AS EFFECTIVE COMPONENTS MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-03-18 EP disclosed
US-4734418-A Quinazoline compounds and antihypertensives MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1988-03-29 US disclosed
EP-0188094-A2 Quinazoline derivatives and antihypertensive preparations containing same as effective components MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1986-07-23 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 (1 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-20110294788-A1 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF AS HIF ACTIVATORS HIF1AN, HIF1A, EGLN2 HCAR2 608/4885ALDH1A1 1475/4885MEN1 3807/4885

“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.