SCHEMBL3857309

SCHEMBL3857309

CNC(=O)c1cc(N)ccc1SC(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.47
▸ ALOX5 P09917 1/20 0.45
▸ KMT2A Q03164 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HDAC3 O15379 2/20 0.35
▸ BRAF P15056 2/20 0.35
▸ HDAC4 P56524 2/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC7 Q8WUI4 2/20 0.35
▸ HDAC2 Q92769 2/20 0.35
▸ HDAC10 Q969S8 2/20 0.35
▸ HDAC11 Q96DB2 2/20 0.35
▸ HDAC8 Q9BY41 2/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35
▸ HDAC9 Q9UKV0 2/20 0.35
▸ HDAC5 Q9UQL6 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ THRB P10828 2/20 0.35
▸ RECQL P46063 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35

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
SCHEMBL19114949 0.88 CA2 (0.47) CA2ALOX5KMT2AALDH1A1HDAC1
SCHEMBL14418224 0.82 ALOX5 (0.41) ALOX5KMT2AALDH1A1HDAC3BRAF
SCHEMBL20196932 0.82 KMT2A (0.41) CA2ALOX5KMT2AALDH1A1MEN1
SCHEMBL3857688 0.77 KMT2A (0.68) CA2KMT2AALDH1A1MEN1TDP1
SCHEMBL25635486 0.74 KMT2A (0.57) ALOX5KMT2AALDH1A1HDAC3BRAF
SCHEMBL10156668 0.73 CASP1 (0.45) ALOX5KMT2AALDH1A1HDAC3BRAF
SCHEMBL2299271 0.73 ALOX5 (0.67) CA2ALOX5KMT2AALDH1A1HDAC3
SCHEMBL31079645 0.73 CASP1 (0.45) ALOX5KMT2AALDH1A1HDAC3BRAF
SCHEMBL22123316 0.72 ALOX5 (0.45) ALOX5ALDH1A1HDAC3BRAFHDAC4
SCHEMBL10681491 0.71 KDM4E (0.44) ALOX5KMT2AALDH1A1HDAC3BRAF

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971582-B1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2012-10-10 — — EP disclosed
US-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2009-11-12 — — US disclosed
US-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2009-11-12 — — US disclosed
US-7592331-B2 Macrocyclic factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 — — US disclosed
US-7592331-B2 Macrocyclic factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 — — US disclosed
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 — — US disclosed
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 — — 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-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 CA2 2993/4885ALOX5 2060/4885KMT2A 2529/4885
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 CA2 2993/4885ALOX5 2060/4885KMT2A 2529/4885

“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.

Send feedback