SCHEMBL2340375

SCHEMBL2340375

CC(C)(C)OC(=O)c1nc2cccc(C(=O)OC(C)(C)C)c2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
PARP1 P09874 5/20 0.37
AR P10275 2/20 0.36
BCHE P06276 1/20 0.36
GAA P10253 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35

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
SCHEMBL6142202 0.86 KDM4E (0.36) PARP1ARBCHEGAAMEN1
SCHEMBL5886053 0.84 TNKS (0.43) PARP1GAAKMT2ANPC1RAB9A
SCHEMBL7145208 0.84 BCHE (0.38) ADRA1AADRA1BARBCHEGAA
SCHEMBL10662224 0.81 GAA (0.37) PARP1BCHEGAAMEN1KMT2A
SCHEMBL2340373 0.77 PARP1 (0.55) PARP1KDM4EHPGD
SCHEMBL938871 0.74 BCHE (0.44) PARP1BCHEGAAMEN1KMT2A
SCHEMBL11947879 0.73 CACNA1G (0.44) BCHEGAAMEN1KMT2ANPC1
SCHEMBL5410326 0.72 KEAP1 (0.58) ARBCHEMEN1KMT2ANPC1
SCHEMBL6326774 0.71 CYP2C9 (0.35) PARP1BCHEMEN1KMT2ANPC1
SCHEMBL14336654 0.71 KDM4E (0.43) GAAMEN1KMT2ANPC1RAB9A

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-2534138-B1 1,2,3-TRIAZOLE-BASED PEPTIDOMIMETIC INTEGRIN INHIBITORS FOR THE DIAGNOSIS AND THERAPY OF TUMORS UNIVERSITA' DEGLI STUDI DI FIRENZE (IT) 2017-01-25 EP disclosed
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
EP-2534138-A1 1,2,3-TRIAZOLE-BASED PEPTIDOMIMETIC INTEGRIN INHIBITORS FOR THE DIAGNOSIS AND THERAPY OF TUMORS Universita' Degli Studi di Firenze (IT) 2012-12-19 EP disclosed
WO-2011098603-A1 1,2,3-TRIAZOLE-BASED PEPTIDOMIMETIC INTEGRIN INHIBITORS FOR THE DIAGNOSIS AND THERAPY OF TUMORS UNIVERSITA' DEGLI STUDI DI FIRENZE (IT) 2011-08-18 WO 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 ADRA1A 651/4885ADRA1B 516/4885PARP1 1208/4885

“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.