SCHEMBL3856855

SCHEMBL3856855

N#Cc1cccc(S(=O)(=O)NCCCc2ccc(B(O)O)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
LSS P48449 2/20 0.44
TPSAB1 Q15661 2/20 0.44
ENPP2 Q13822 1/20 0.43
AKR1C3 P42330 3/20 0.42
POLB P06746 1/20 0.42
CYP19A1 P11511 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
PRMT1 Q99873 1/20 0.41
KAT6A Q92794 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL3861470 0.93 LSS (0.51) ALDH1A1LSSENPP2AKR1C3CYP19A1
SCHEMBL3861545 0.86 ALDH1A1 (0.51) ALDH1A1LSSTPSAB1POLBCYP19A1
SCHEMBL5332920 0.80 PGR (0.46) ALDH1A1CYP19A1KAT6AKMT2A
Water SCHEMBL28775032 0.78 ALDH1A1 (0.50) ALDH1A1LSSAKR1C3CYP19A1PRMT1
SCHEMBL3861652 0.78 LSS (0.50) ALDH1A1LSSAKR1C3CYP19A1PRMT1
SCHEMBL12481561 0.77 CYP2C19 (0.58) ALDH1A1CYP19A1GAAKAT6AKMT2A
SCHEMBL18881484 0.75 LMNA (0.53) ALDH1A1POLBCYP19A1TP53MAPK1
SCHEMBL12953965 0.74 KMT2A (0.51) ALDH1A1CYP19A1KAT6AKMT2A
SCHEMBL1246685 0.73 SCN9A (0.52) ALDH1A1AKR1C3CYP19A1KAT6AKMT2A
SCHEMBL4615617 0.71 PGR (0.50) ALDH1A1CYP19A1KAT6AKMT2A

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 9 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
EP-1971582-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2008-09-24 EP 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
WO-2007076431-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-05 WO 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 ALDH1A1 4184/4885LSS 829/4885TPSAB1 65/4885
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 ALDH1A1 4184/4885LSS 829/4885TPSAB1 65/4885

“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.