SCHEMBL16178581

SCHEMBL16178581

CC1=C(C(=O)O)C(c2ccc(C)cc2)C(C(=O)O)=C(C)N1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.53
HSD17B10 Q99714 2/20 0.53
NPSR1 Q6W5P4 5/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 2/20 0.51
GAA P10253 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.47
TP53 P04637 1/20 0.44
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.41
HDAC4 P56524 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SRD5A2 P31213 1/20 0.38
NOTUM Q6P988 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL16178523 0.87 KDM4E (0.66) TSHRHSD17B10NPSR1KDM4EHPGD
SCHEMBL16178557 0.86 TSHR (0.50) TSHRHSD17B10NPSR1KDM4EHPGD
SCHEMBL9217592 0.86 NPSR1 (0.69) TSHRHSD17B10NPSR1KDM4EHPGD
SCHEMBL16178482 0.83 TSHR (0.55) TSHRHSD17B10NPSR1KDM4EHPGD
SCHEMBL14987375 0.81 TSHR (0.79) TSHRHSD17B10NPSR1KDM4EHPGD
SCHEMBL9213028 0.78 TSHR (0.50) TSHRHSD17B10NPSR1KDM4EHPGD
SCHEMBL16178376 0.77 HSD17B10 (0.70) TSHRHSD17B10NPSR1KDM4EHPGD
SCHEMBL11008635 0.76 KDM4E (0.54) TSHRHSD17B10NPSR1KDM4EHPGD
SCHEMBL27541931 0.76 CACNA1B (0.49) TSHRHSD17B10NPSR1KDM4EHPGD
SCHEMBL16178460 0.75 TSHR (0.43) TSHRHSD17B10NPSR1KDM4EHPGD

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 TSHR 3760/4885HSD17B10 1168/4885NPSR1 660/4885
US-10258498-B2 1,4-dihydropyridine derivatives with Hsp modulating activity HSF1, HSPB1, HSP90AB1 TSHR 3760/4885HSD17B10 1168/4885NPSR1 660/4885
US-10660789-B2 1,4-dihydropyridine derivatives with HSP modulating activity HSF1, HSPB1, HSP90AB1 TSHR 3760/4885HSD17B10 1168/4885NPSR1 660/4885
US-20190192336-A1 1,4-Dihydropyridine Derivatives With HSP Modulating Activity HSF1, HSPB1, HSP90AB1 TSHR 3760/4885HSD17B10 1168/4885NPSR1 660/4885

“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.