SCHEMBL13645912

SCHEMBL13645912

CCOCCC(C)NC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACACB O00763 9/20 0.46
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PLA2G2C Q5R387 2/20 0.40
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39
THRB P10828 1/20 0.37
TRPV1 Q8NER1 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
SCHEMBL13645917 0.89 PLA2G2C (0.45) ACACBTSHRALDH1A1PLA2G2CMTNR1A
SCHEMBL19275098 0.87 PLA2G2C (0.47) ACACBTSHRALDH1A1PLA2G2CTRPV1
SCHEMBL5063480 0.84 SMN1; SMN2 (0.40) ACACBTSHRALDH1A1THRB
SCHEMBL19151121 0.82 CYP2C9 (0.39) ACACBTSHRALDH1A1THRB
SCHEMBL24496938 0.79 MTNR1A (0.49) ACACBALDH1A1PLA2G2CMTNR1AMTNR1B
SCHEMBL13645986 0.79 ACACB (0.43) ACACBMTNR1AMTNR1BTRPV1
SCHEMBL23083767 0.79 ACACB (0.43) ACACBMTNR1AMTNR1BTRPV1
SCHEMBL23083775 0.79 ACACB (0.43) ACACBMTNR1AMTNR1BTRPV1
SCHEMBL21137560 0.79 LMNA (0.37) ACACBTSHRALDH1A1THRB
SCHEMBL12247685 0.78 TSHR (0.41) ACACBTSHRALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2881394-B1 CONDENSED RING HETEROCYCLIC COMPOUND KYOWA HAKKO KIRIN CO LTD (JP) 2018-03-21 EP disclosed
US-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 US disclosed
US-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 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 (1 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-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof HLA-C, TPMT, TAP1 ACACB 4200/4885TSHR 3257/4885ALDH1A1 208/4885

“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.