SCHEMBL6696076

SCHEMBL6696076

N#Cc1cc(-c2cc[nH]n2)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.42
TRPV3 Q8NET8 2/20 0.40
CYP11B2 P19099 9/20 0.39
CYP11B1 P15538 8/20 0.39
CNR2 P34972 1/20 0.38
LRRK2 Q5S007 1/20 0.38
FLT3 P36888 1/20 0.38
MCL1 Q07820 1/20 0.36

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
SCHEMBL21996431 0.87 CYP11B2 (0.52) CYP11B2CYP11B1
SCHEMBL15657561 0.81 CTSK (0.38) CYP11B2CYP11B1MCL1
SCHEMBL3103824 0.79 NOTUM (0.43) PGRCYP11B2CYP11B1
SCHEMBL30745584 0.79 NOTUM (0.43) PGRCYP11B2CYP11B1
SCHEMBL1816526 0.77 S1PR1 (0.41) CYP11B2CYP11B1
SCHEMBL3909066 0.77 AR (0.36) PGRCYP11B2CYP11B1
SCHEMBL1810795 0.77 CYP11B2 (0.48) CYP11B2CYP11B1
SCHEMBL21996361 0.77 AR (0.54) PGR
SCHEMBL28686686 0.77 CYP11B1 (0.32) CYP11B2CYP11B1
Hydrochloric Acid SCHEMBL16330842 0.76 CYP11B2 (0.47) CYP11B2CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1610679-A Efficient process for the preparation of a factor XA inhibitor BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-04-27 CN disclosed
US-20040198787-A1 Efficient process for the preparation of a factor Xa inhibitor LI HUI-YIN (US) 2004-10-07 US disclosed
US-6747158-B2 ANTICOAGULANTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-06-08 US disclosed
US-6667332-B2 Benzisoxazolyl-pyrazole derivatives formed by salt formation with maleic acid and hydrochloric acid and cyclization with acetohydroxamic acid BRISTOL-MYERS SQUIBB COMPANY 2003-12-23 US disclosed
EP-1366045-A2 EFFICIENT PROCESS FOR THE PREPARATION OF A FACTOR XA INHIBITOR Bristol-Myers Squibb Pharma Company (US) 2003-12-03 EP disclosed
US-20030212117-A1 Efficient process for the preparation of a factor Xa inhibitor LI HUI-YIN (US) 2003-11-13 US disclosed
WO-2002024690-A3 EFFICIENT PROCESS FOR THE PREPARATION OF A FACTOR XA INHIBITOR BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-09-25 WO disclosed
WO-2002024690-A8 EFFICIENT PROCESS FOR THE PREPARATION OF A FACTOR XA INHIBITOR DU PONT PHARM CO (US) 2002-08-08 WO disclosed
US-20020061917-A1 Efficient process for the preparation of a factor Xa inhibitor BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-05-23 US disclosed
WO-2002024690-A2 EFFICIENT PROCESS FOR THE PREPARATION OF A FACTOR XA INHIBITOR BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-03-28 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 (3 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-20030212117-A1 Efficient process for the preparation of a factor Xa inhibitor TFPI, F11, F12 PGR 2589/4885TRPV3 4541/4885CYP11B2 741/4885
US-20040198787-A1 Efficient process for the preparation of a factor Xa inhibitor TFPI, F11, F12 PGR 2589/4885TRPV3 4541/4885CYP11B2 741/4885
US-20020061917-A1 Efficient process for the preparation of a factor Xa inhibitor TFPI, F11, F12 PGR 2589/4885TRPV3 4541/4885CYP11B2 741/4885

“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.