SCHEMBL2317601

SCHEMBL2317601

C[C@@H](CC(=O)O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
SLC1A3 P43003 2/20 0.49
SLC1A2 P43004 2/20 0.49
SLC1A1 P43005 2/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 3/20 0.48
CPA1 P15085 2/20 0.46
CPB1 P15086 1/20 0.46
CPA3 P15088 1/20 0.46
CPB2 Q96IY4 1/20 0.46
FFAR1 O14842 2/20 0.45
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
LTA4H P09960 2/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL6824207 1.00 KMT2A (0.49) KMT2ASLC1A3SLC1A2SLC1A1MEN1
SCHEMBL7929513 1.00 KMT2A (0.49) KMT2ASLC1A3SLC1A2SLC1A1MEN1
SCHEMBL34471031 0.91 TSHR (0.45) KMT2ASLC1A3SLC1A2SLC1A1MEN1
SCHEMBL2312535 0.87 ALDH1A1 (0.52) KMT2ASLC1A3SLC1A2SLC1A1MEN1
SCHEMBL21536617 0.87 ALDH1A1 (0.52) KMT2ASLC1A3SLC1A2SLC1A1MEN1
SCHEMBL18112934 0.86 SLC1A3 (0.44) KMT2ASLC1A3SLC1A2SLC1A1MEN1
SCHEMBL20581847 0.86 ALDH1A1 (0.50) KMT2ASLC1A3SLC1A2SLC1A1MEN1
SCHEMBL7507596 0.86 ALDH1A1 (0.50) KMT2ASLC1A3SLC1A2SLC1A1MEN1
SCHEMBL29259157 0.85 HTT (0.44) ALDH1A1CPA1CPB1CPA3CPB2
SCHEMBL24335280 0.84 MMP1 (0.48) KMT2ASLC1A3SLC1A2SLC1A1MEN1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102177137-B 1-phenylpyrrole compounds EXELIXIS INC 2015-03-18 CN disclosed
US-8642640-B2 1-phenylpyrrole derivatives EXELIXIS, INC. (US) 2014-02-04 US disclosed
EP-2349996-B1 1-PHENYLPYRROLE COMPOUNDS EXELIXIS INC (US) 2014-01-01 EP disclosed
US-20110263544-A1 1-Phenylpyrrole Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-10-27 US disclosed
CN-102177137-A 1-phenylpyrrole compounds EXELIXIS INC 2011-09-07 CN disclosed
EP-2349996-A1 1-PHENYLPYRROLE COMPOUNDS Exelixis, Inc. (US) 2011-08-03 EP disclosed
WO-2010042626-A1 1-PHENYLPYRROLE COMPOUNDS EXELIXIS, INC. (US) 2010-04-15 WO disclosed
US-6306828-B1 ENTERIC OR PARENTAL SOLUTION OF ALPHA-AND/OR BETA-D-GLUCOPYRANOSYL C2-C20 ALKANOATE; WOUND HEALING AGENTS; DIETETICS; TRAUMAS, METABOLIC DISORDERS BAXTER INTERNATIONAL, INC. 2001-10-23 US disclosed
EP-0736256-B1 Enantiomerically-enhanced nutritional energy substrates BAXTER INT (US) 1999-06-23 EP disclosed
EP-0736256-A1 Enantiomerically-enhanced nutritional energy substrates CLINTEC NUTRITION COMPANY (US) 1996-10-09 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-20110263544-A1 1-Phenylpyrrole Derivatives REN, AGTR1, NR3C2 KMT2A 3702/4885SLC1A3 2198/4885SLC1A2 3012/4885

“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.