SCHEMBL6372963

SCHEMBL6372963

COC(=O)[C@H](CSCc1ccccc1)NC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)oc1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.47
▸ PTPN1 P18031 3/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PPARA Q07869 3/20 0.41
▸ PPARG P37231 2/20 0.41
▸ ACE P12821 1/20 0.41
▸ NOS3 P29474 1/20 0.41
▸ NOS1 P29475 1/20 0.41
▸ NOS2 P35228 1/20 0.41
▸ CDK2 P24941 2/20 0.40
▸ DGAT1 O75907 4/20 0.38
▸ TARBP2 Q15633 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
SCHEMBL6372971 1.00 ELANE (0.47) ELANEPTPN1MAPTPPARAPPARG
SCHEMBL6365970 0.93 ELANE (0.43) ELANEPTPN1MAPTPPARAPPARG
SCHEMBL6365287 0.93 ELANE (0.43) ELANEPTPN1MAPTPPARAPPARG
SCHEMBL6364946 0.92 ELANE (0.43) ELANEPTPN1MAPTPPARAPPARG
SCHEMBL6365244 0.91 ACE (0.48) ELANEPTPN1PPARAPPARGACE
SCHEMBL6365249 0.91 ACE (0.48) ELANEPTPN1PPARAPPARGACE
SCHEMBL6365727 0.91 HDAC4 (0.46) ELANE
SCHEMBL6365736 0.91 HDAC4 (0.46) ELANE
SCHEMBL6372203 0.89 ACE (0.46) ELANEPTPN1PPARAPPARGACE
SCHEMBL6372197 0.89 ACE (0.46) ELANEPTPN1PPARAPPARGACE

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-20050272784-A1 Inhibitors of bacterial Type III protein secretion systems LI XIAOBING 2005-12-08 — — 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-20050272784-A1 Inhibitors of bacterial Type III protein secretion systems GBA3, PSMB3, SEC61B ELANE 117/4885PTPN1 1728/4885MAPT 4549/4885

“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.

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