SCHEMBL5105015

SCHEMBL5105015

O=C(O)C1CCCN1C(=O)Nc1ccccc1F

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.72
▸ ITGB1 P05556 1/20 0.72
▸ ITGAV P06756 1/20 0.72
▸ ITGA5 P08648 1/20 0.72
▸ ITGA4 P13612 1/20 0.72
▸ KMT2A Q03164 2/20 0.64
▸ THRB P10828 1/20 0.64
▸ ALOX12 P18054 1/20 0.64
▸ ALDH1A1 P00352 5/20 0.60
▸ TSHR P16473 1/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60
▸ L3MBTL1 Q9Y468 2/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ MEN1 O00255 1/20 0.52
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ TACR1 P25103 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ LMNA P02545 1/20 0.48

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
SCHEMBL11718228 0.82 KDM4E (0.56) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL4186674 0.81 KMT2A (0.76) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL16098803 0.81 ITGB3 (0.58) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL16098801 0.81 ITGB3 (0.58) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL16099403 0.81 ITGB3 (0.67) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL16099401 0.81 ITGB3 (0.67) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL16099910 0.80 KMT2A (0.56) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL16099911 0.80 KMT2A (0.56) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL11720348 0.80 ALDH1A1 (0.51) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL16105032 0.80 ITGB3 (0.70) ITGB3ITGB1ITGAVITGA5ITGA4

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-7407972-B2 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade PFIZER INC. (US) 2008-08-05 — — US disclosed
US-20060264626-A1 INHIBITORS OF FACTOR Xa AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER-LAMBERT COMPANY LLC 2006-11-23 — — US disclosed
US-20050267118-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade WARNER-LAMBERT COMPANY LLC 2005-12-01 — — 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 (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-20050267118-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade F12, TFPI, F11 ITGB3 1554/4885ITGB1 1104/4885ITGAV 1610/4885
US-20060264626-A1 INHIBITORS OF FACTOR Xa AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE F11, F2, TFPI ITGB3 1313/4885ITGB1 752/4885ITGAV 1727/4885

“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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