SCHEMBL4240995

SCHEMBL4240995

COC(=O)CC(=O)NCC(Cc1ccccc1)C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.47
PRSS1 P07477 1/20 0.47
ATM Q13315 1/20 0.47
CA12 O43570 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
POLB P06746 1/20 0.45
CYP1A2 P05177 1/20 0.45
MMP2 P08253 2/20 0.44
BIRC2 Q13490 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL2327788 0.84 MTNR1A (0.59) F10PRSS1ATMCA12CA2
SCHEMBL2327792 0.84 MTNR1A (0.59) F10PRSS1ATMCA12CA2
SCHEMBL9755831 0.80 KMT2A (0.54) ATMPOLBCYP1A2BIRC2KMT2A
SCHEMBL7506768 0.80 KMT2A (0.54) ATMPOLBCYP1A2BIRC2KMT2A
SCHEMBL23792351 0.80 F10 (0.53) F10PRSS1ATMCA12CA2
SCHEMBL1187483 0.80 TRPM8 (0.53) F10PRSS1CYP1A2
SCHEMBL13816316 0.78 SYK (0.56) F10PRSS1ATMCA12CA7
SCHEMBL117431 0.77 CYP1A2 (0.60) ATMPOLBCYP1A2KMT2A
SCHEMBL3596338 0.77 ALDH1A1 (0.57) ATMPOLBCYP1A2BIRC2KMT2A
SCHEMBL27909690 0.77 ATM (0.63) ATMPOLBKMT2A

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-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 US disclosed
US-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 US disclosed
US-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 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-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE FDPS, UMPS, GGPS1 F10 3599/4885PRSS1 650/4885ATM 4042/4885

“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.