SCHEMBL16178485

SCHEMBL16178485

CC1=C(C(=O)O)C(c2ccccc2Cl)C(C(=O)O)=C(C)N1C

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PYGL P06737 16/20 0.52
PYGM P11217 16/20 0.52
GAA P10253 2/20 0.50
TSHR P16473 2/20 0.50
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GLA P06280 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX12 P18054 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL7945527 0.88 LMNA (0.47) PYGLPYGMGAATSHRKDM4E
SCHEMBL11681868 0.84 PYGL (0.49) PYGLPYGMGAATSHRKDM4E
SCHEMBL14987090 0.83 TSHR (0.74) PYGLPYGMGAATSHRKDM4E
SCHEMBL11691222 0.80 PYGL (0.56) PYGLPYGMGAATSHRKDM4E
SCHEMBL3034308 0.79 ALDH1A1 (0.49) PYGLPYGMGAATSHRKDM4E
SCHEMBL29259269 0.78 GAA (0.48) PYGLPYGMGAATSHRKDM4E
SCHEMBL4881545 0.78 LMNA (0.61) PYGLPYGMGAATSHRKDM4E
SCHEMBL16178523 0.78 KDM4E (0.66) PYGLPYGMGAATSHRKDM4E
SCHEMBL11008635 0.77 KDM4E (0.54) PYGLPYGMGAATSHRKDM4E
SCHEMBL16178021 0.77 TSHR (0.47) GAATSHRKDM4EALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10258498-B2 1,4-dihydropyridine derivatives with Hsp modulating activity RICHTER GEDEON NYRT. (HU) 2019-04-16 US claimed
US-20140315893-A1 1,4- DIHYDROPYRIDINE DERIVATIVES WITH HSP MODULATING ACTIVITY RICHTER GEDEON NYRT. (HU) 2014-10-23 US claimed
US-10660789-B2 1,4-dihydropyridine derivatives with HSP modulating activity RICHTER GEDEON NYRT. (HU) 2020-05-26 US disclosed
EP-2782573-B1 1,4-DIHYDROPYRIDINE DERIVATIVES WITH HSP MODULATING ACTIVITY RICHTER GEDEON NYRT (HU) 2019-10-09 EP disclosed
US-20190192336-A1 1,4-Dihydropyridine Derivatives With HSP Modulating Activity LIPIDART KUTATÓ FEJLESZTO ÉS TANÁCSADÓ KFT. (HU) 2019-06-27 US disclosed
US-10258498-B2 1,4-dihydropyridine derivatives with Hsp modulating activity RICHTER GEDEON NYRT. (HU) 2019-04-16 US disclosed
US-20140315893-A1 1,4- DIHYDROPYRIDINE DERIVATIVES WITH HSP MODULATING ACTIVITY RICHTER GEDEON NYRT. (HU) 2014-10-23 US 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-20140315893-A1 1,4- DIHYDROPYRIDINE DERIVATIVES WITH HSP MODULATING ACTIVITY HSF1, HSPB1, HSP90AB1 PYGL 2062/4885PYGM 4296/4885GAA 2724/4885
US-10258498-B2 1,4-dihydropyridine derivatives with Hsp modulating activity HSF1, HSPB1, HSP90AB1 PYGL 2062/4885PYGM 4296/4885GAA 2724/4885
US-10660789-B2 1,4-dihydropyridine derivatives with HSP modulating activity HSF1, HSPB1, HSP90AB1 PYGL 2062/4885PYGM 4296/4885GAA 2724/4885
US-20190192336-A1 1,4-Dihydropyridine Derivatives With HSP Modulating Activity HSF1, HSPB1, HSP90AB1 PYGL 2062/4885PYGM 4296/4885GAA 2724/4885

“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.