SCHEMBL2816083

SCHEMBL2816083

COC(=O)c1cc(F)c2c(c1)C(NC(=O)c1ccccc1Cl)CCO2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
SPTLC2 O15270 2/20 0.42
TAS1R3 Q7RTX0 5/20 0.40
TAS1R1 Q7RTX1 5/20 0.40
TAS1R2 Q8TE23 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
KDM4E B2RXH2 1/20 0.38
WDR5 P61964 1/20 0.38

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
SCHEMBL803181 1.00 ALDH1A1 (0.44) ALDH1A1SPTLC2TAS1R3TAS1R1TAS1R2
SCHEMBL13190008 0.89 ALDH1A1 (0.45) ALDH1A1SPTLC2TAS1R3TAS1R1TAS1R2
SCHEMBL883780 0.89 ALDH1A1 (0.45) ALDH1A1SPTLC2TAS1R3TAS1R1TAS1R2
SCHEMBL785920 0.89 ALDH1A1 (0.47) ALDH1A1SPTLC2TAS1R3TAS1R1TAS1R2
SCHEMBL786085 0.89 ALDH1A1 (0.47) ALDH1A1SPTLC2TAS1R3TAS1R1TAS1R2
SCHEMBL485049 0.83 ALDH1A1 (0.47) ALDH1A1SPTLC2TAS1R3TAS1R1TAS1R2
SCHEMBL784581 0.83 ALDH1A1 (0.47) ALDH1A1SPTLC2TAS1R3TAS1R1TAS1R2
SCHEMBL803561 0.83 ALDH1A1 (0.49) ALDH1A1SPTLC2TAS1R3TAS1R1TAS1R2
SCHEMBL803721 0.82 SPTLC2 (0.49) ALDH1A1SPTLC2TAS1R3TAS1R1TAS1R2
SCHEMBL15235419 0.81 ALDH1A1 (0.45) ALDH1A1SPTLC2TAS1R3TAS1R1TAS1R2

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 3 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-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

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 ALDH1A1 2086/4885SPTLC2 3707/4885TAS1R3 339/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN ALDH1A1 2086/4885SPTLC2 3707/4885TAS1R3 339/4885

“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.