SCHEMBL16178376

SCHEMBL16178376

CC1=C(C(=O)O)C(c2ccsc2)C(C(=O)O)=C(C)N1C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.70
TSHR P16473 3/20 0.70
KDM4E B2RXH2 5/20 0.49
GAA P10253 4/20 0.49
HPGD P15428 4/20 0.49
ALDH1A1 P00352 3/20 0.49
CASP1 P29466 2/20 0.49
CASP7 P55210 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
POLB P06746 1/20 0.49
GLA P06280 2/20 0.49
ADORA2B P29275 3/20 0.48
SIRT3 Q9NTG7 1/20 0.45
SIRT5 Q9NXA8 1/20 0.45
CACNA1B Q00975 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL14987250 0.83 TSHR (1.00) HSD17B10TSHRKDM4EGAAHPGD
SCHEMBL16178523 0.79 KDM4E (0.66) HSD17B10TSHRKDM4EGAAHPGD
SCHEMBL16178581 0.77 TSHR (0.53) HSD17B10TSHRKDM4EGAAHPGD
SCHEMBL16178557 0.75 TSHR (0.50) HSD17B10TSHRKDM4EGAAHPGD
SCHEMBL9217592 0.75 NPSR1 (0.69) HSD17B10TSHRKDM4EGAAHPGD
SCHEMBL7328503 0.72 CNR1 (0.44) HSD17B10TSHRKDM4EGAAADORA2B
SCHEMBL16178482 0.72 TSHR (0.55) HSD17B10TSHRKDM4EGAAHPGD
SCHEMBL9401504 0.72 CACNA1B (0.64) HSD17B10TSHRKDM4EGAAHPGD
SCHEMBL16178460 0.71 TSHR (0.43) HSD17B10TSHRKDM4EGAAHPGD
SCHEMBL9119923 0.70 TSHR (0.50) HSD17B10TSHRKDM4EGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2782573-B1 1,4-DIHYDROPYRIDINE DERIVATIVES WITH HSP MODULATING ACTIVITY RICHTER GEDEON NYRT (HU) 2019-10-09 EP claimed
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 HSD17B10 1168/4885TSHR 3760/4885KDM4E 4699/4885
US-10258498-B2 1,4-dihydropyridine derivatives with Hsp modulating activity HSF1, HSPB1, HSP90AB1 HSD17B10 1168/4885TSHR 3760/4885KDM4E 4699/4885
US-10660789-B2 1,4-dihydropyridine derivatives with HSP modulating activity HSF1, HSPB1, HSP90AB1 HSD17B10 1168/4885TSHR 3760/4885KDM4E 4699/4885
US-20190192336-A1 1,4-Dihydropyridine Derivatives With HSP Modulating Activity HSF1, HSPB1, HSP90AB1 HSD17B10 1168/4885TSHR 3760/4885KDM4E 4699/4885

“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.