SCHEMBL14701531

SCHEMBL14701531

CCC(=O)N(CC(=O)O)Cc1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 4/20 0.50
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CNR2 P34972 1/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.40
AGTR1 P30556 1/20 0.40

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
SCHEMBL14672758 0.88 TRPM8 (0.53) TRPM8KDM4EMEN1HPGDKMT2A
SCHEMBL71560 0.84 TRPM8 (0.48) TRPM8KDM4EMEN1HPGDKMT2A
SCHEMBL14174771 0.79 TRPM8 (0.49) TRPM8KDM4EMEN1HPGDKMT2A
SCHEMBL2444866 0.78 MEP1B (0.49) KMT2A
SCHEMBL31550 0.78 ALDH1A1 (0.51) HPGDALDH1A1CNR2POLBAGTR1
SCHEMBL17083311 0.75 PYCR1 (0.50) MEN1KMT2AALDH1A1LMNA
SCHEMBL6433208 0.74 ALDH1A1 (0.64) TRPM8MEN1KMT2AALDH1A1LMNA
SCHEMBL3213534 0.74 ALDH1A1 (0.55) TRPM8ALDH1A1LMNAPOLB
SCHEMBL16330550 0.73 ALDH1A1 (0.54) TRPM8KDM4EMEN1KMT2AALDH1A1
SCHEMBL6444629 0.73 FFAR3 (0.47) KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809338-B2 1,2,3-triazole-based peptidomimetic integrin inhibitors for the diagnosis and therapy of tumors UNIVERSITA' DEGLI STUDI DI FIRENZE (IT) 2014-08-19 US disclosed
US-20130040964-A1 1,2,3-TRIAZOLE-BASED PEPTIDOMIMETIC INTEGRIN INHIBITORS FOR THE DIAGNOSIS AND THERAPY OF TUMORS UNIVERSITA' DEGLI STUDI DI FIRENZE (IT) 2013-02-14 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-20130040964-A1 1,2,3-TRIAZOLE-BASED PEPTIDOMIMETIC INTEGRIN INHIBITORS FOR THE DIAGNOSIS AND THERAPY OF TUMORS ICAM1, ITGB3, VCAM1 TRPM8 4524/4885KDM4E 3844/4885MEN1 885/4885

“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.