SCHEMBL5432971

SCHEMBL5432971

O=C(CC(COCCN1CCS(=O)(=O)CC1)NC(=O)c1ccc(N2CCCCC2=O)cc1)Nc1ccc(Cl)cn1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.50
TACR3 P29371 1/20 0.40
MAPT P10636 2/20 0.40
RECQL P46063 1/20 0.39
ALDH1A1 P00352 3/20 0.38
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL5432974 0.94 F10 (0.50) F10TACR3MAPTRECQLALDH1A1
SCHEMBL5431679 0.93 F10 (0.51) F10TACR3MAPTRECQLALDH1A1
SCHEMBL5446696 0.91 F10 (0.51) F10TACR3MAPTRECQLALDH1A1
SCHEMBL5438147 0.89 F10 (0.45) F10MAPTRECQLALDH1A1USP2
SCHEMBL5433548 0.88 F10 (0.56) F10TACR3MAPTALDH1A1
SCHEMBL5442074 0.86 F10 (0.49) F10TACR3MAPTRECQLALDH1A1
SCHEMBL5440396 0.86 F10 (0.58) F10TACR3MAPTALDH1A1
SCHEMBL5431479 0.86 F10 (0.62) F10TACR3MAPTALDH1A1
SCHEMBL5433374 0.85 F10 (0.48) F10
SCHEMBL5438150 0.83 F10 (0.45) F10MAPTRECQLALDH1A1USP2

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-20070129361-A1 LACTAM-CONTAINING DIAMINOALKYL, Beta-AMINOACIDS, Alpha-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-07 US claimed
US-20070129361-A1 LACTAM-CONTAINING DIAMINOALKYL, Beta-AMINOACIDS, Alpha-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-07 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-20070129361-A1 LACTAM-CONTAINING DIAMINOALKYL, Beta-AMINOACIDS, Alpha-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS PEPD, XPNPEP1, METAP1 F10 46/4885TACR3 2543/4885MAPT 4212/4885

“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.