SCHEMBL2263996

SCHEMBL2263996

Cc1cccc(C(C(N)=O)C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.49
PARP1 P09874 1/20 0.48
SRC P12931 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.41
LMNA P02545 1/20 0.41
DHODH Q02127 1/20 0.41
KIF11 P52732 3/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
ACHE P22303 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
SYK P43405 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
SCHEMBL9321541 0.90 PARP1 (0.53) ACP3PARP1SMN1; SMN2TDP1TRPM8
SCHEMBL28195432 0.90 SRC (0.58) ACP3PARP1SRCSMN1; SMN2LMNA
SCHEMBL8538429 0.84 ACP3 (0.47) ACP3PARP1SRCSMN1; SMN2LMNA
SCHEMBL1352192 0.79 PARP1 (0.50) ACP3PARP1TDP1TRPM8LMNA
SCHEMBL20844696 0.79 PARP1 (0.50) ACP3PARP1TDP1TRPM8LMNA
SCHEMBL8749833 0.79 HSD17B10 (0.50) ACP3PARP1TDP1KIF11
SCHEMBL6794371 0.79 PARP1 (0.50) ACP3PARP1TDP1TRPM8LMNA
SCHEMBL5293096 0.79 HSD17B10 (0.50) ACP3PARP1TDP1KIF11
SCHEMBL3053512 0.79 PARP1 (0.50) ACP3PARP1SMN1; SMN2TRPM8LMNA
SCHEMBL28243743 0.79 HSD17B10 (0.50) ACP3PARP1TDP1KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110195954-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-11 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-20110195954-A1 NOVEL COMPOUNDS CALCRL, CALCR, CALCA ACP3 2626/4885PARP1 3295/4885SRC 4579/4885

“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.