SCHEMBL2819081

SCHEMBL2819081

O=C(N[C@@H]1CCOc2cc(C(F)(F)F)c(C(=O)O)cc21)c1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.46
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
P2RX7 Q99572 3/20 0.41
KDM4E B2RXH2 1/20 0.41
KDM4C Q9H3R0 3/20 0.41
FABP3 P05413 1/20 0.40
FABP4 P15090 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
HCRTR1 O43613 2/20 0.40
BDKRB1 P46663 2/20 0.39
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
TAS1R2 Q8TE23 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
KDM6B O15054 2/20 0.39

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
SCHEMBL2819085 1.00 HSD17B2 (0.46) HSD17B2ALDH1A1MEN1KMT2AP2RX7
SCHEMBL13190099 0.92 HSD17B2 (0.45) HSD17B2ALDH1A1MEN1KMT2AKDM4C
SCHEMBL2817718 0.89 HSD17B2 (0.47) HSD17B2ALDH1A1P2RX7KDM4EMAPT
SCHEMBL2817719 0.89 HSD17B2 (0.47) HSD17B2ALDH1A1P2RX7KDM4EMAPT
SCHEMBL2816141 0.87 ALDH1A1 (0.47) HSD17B2ALDH1A1MEN1KMT2AP2RX7
SCHEMBL2816139 0.87 ALDH1A1 (0.47) HSD17B2ALDH1A1MEN1KMT2AP2RX7
SCHEMBL13190089 0.83 HSD17B2 (0.44) HSD17B2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL784603 0.81 ALDH1A1 (0.50) HSD17B2ALDH1A1P2RX7MAPTTHRB
SCHEMBL784602 0.81 ALDH1A1 (0.50) HSD17B2ALDH1A1P2RX7MAPTTHRB
SCHEMBL784976 0.80 ALDH1A1 (0.49) ALDH1A1MAPTTHRBTAS1R3TAS1R1

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
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 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 (2 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN HSD17B2 2886/4885ALDH1A1 2086/4885MEN1 901/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN HSD17B2 2886/4885ALDH1A1 2086/4885MEN1 901/4885

“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.