SCHEMBL9943573

SCHEMBL9943573

CC(=O)N[C@@H](Cc1ccccc1)C[C@@H](O)[C@H](Cc1ccccc1)OC(N)=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 5/20 0.44
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
TACR1 P25103 1/20 0.42
LMNA P02545 1/20 0.40
PAM P19021 1/20 0.40
ACACB O00763 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MME P08473 1/20 0.38
ACE P12821 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
SCHEMBL9943574 1.00 CTRB1 (0.44) CTRB1CTSSCTSKTACR1LMNA
SCHEMBL9943572 1.00 CTRB1 (0.44) CTRB1CTSSCTSKTACR1LMNA
SCHEMBL8769730 0.80 CTRB1 (0.49) CTRB1CTSSCTSKLMNAPAM
SCHEMBL4957664 0.79 EPHX1 (0.46)
SCHEMBL4957660 0.79 EPHX1 (0.46)
SCHEMBL4957591 0.79 EPHX1 (0.46)
SCHEMBL4959188 0.76 CTRB1 (0.48) CTRB1CTSSCTSKTACR1LMNA
SCHEMBL4959183 0.76 CTRB1 (0.48) CTRB1CTSSCTSKTACR1LMNA
SCHEMBL27522583 0.76 SRR (0.42) LMNAACE
SCHEMBL4263442 0.76 SRR (0.42) LMNAACE

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
US-20130131085-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2013-05-23 US claimed
US-20130131085-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2013-05-23 US disclosed
US-20120309762-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2012-12-06 US disclosed
EP-2465855-A1 Cytochrome P450 oxidase inhibitors and uses thereof Abbott Laboratories (US) 2012-06-20 EP disclosed
EP-2465856-A2 Cytochrome P450 oxidase inhibitors and uses thereof Abbott Laboratories (US) 2012-06-20 EP 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 (2 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-20120309762-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF CYP3A43, CYP3A5, POR CTRB1 588/4885CTSS 918/4885CTSK 1255/4885
US-20130131085-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF CYP3A43, CYP3A5, POR CTRB1 588/4885CTSS 918/4885CTSK 1255/4885

“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.