SCHEMBL1197399

SCHEMBL1197399

COC(=O)Nc1ccc(OBOc2ccc(NC(=O)OC)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.61
HPGD P15428 2/20 0.61
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
MAPT P10636 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
GAA P10253 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
GFER P55789 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TGM2 P21980 1/20 0.43

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
SCHEMBL13546242 0.87 SMN1; SMN2 (0.59) SMN1; SMN2HPGDNPC1RAB9AMAPT
SCHEMBL9609808 0.83 SMN1; SMN2 (0.82) SMN1; SMN2HPGDNPC1RAB9AMAPT
SCHEMBL2894776 0.82 KMT2A (0.66) SMN1; SMN2HPGDNPC1RAB9AMAPT
SCHEMBL984471 0.82 CYP17A1 (0.49) SMN1; SMN2HPGDNPC1RAB9ACYP1A2
SCHEMBL2089394 0.82 SMN1; SMN2 (0.73) SMN1; SMN2HPGDNPC1RAB9AMAPT
SCHEMBL11773292 0.82 SMN1; SMN2 (0.85) SMN1; SMN2HPGDNPC1RAB9AMAPT
SCHEMBL918236 0.79 RAB9A (0.65) SMN1; SMN2HPGDNPC1RAB9AMAPT
SCHEMBL7251623 0.77 SMN1; SMN2 (0.72) SMN1; SMN2HPGDNPC1RAB9AMAPT
SCHEMBL5235403 0.77 SMN1; SMN2 (0.66) SMN1; SMN2HPGDNPC1RAB9AMAPT
SCHEMBL3676589 0.77 SMN1; SMN2 (0.66) SMN1; SMN2HPGDNPC1RAB9AMAPT

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1841504-B1 SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-11-19 EP disclosed
US-8604056-B2 Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-12-10 US disclosed
US-20120270853-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-10-25 US disclosed
EP-2155717-B1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-10-24 EP disclosed
US-8252830-B2 Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-28 US disclosed
US-8202873-B2 2-[4-(pyrazol-4-ylalkyl)piperazin-1-yl]-3-phenyl pyrazines as 5-HT7 receptor antagonists ELI LILLY AND COMPANY (US) 2012-06-19 US disclosed
US-8163749-B2 Six-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-24 US disclosed
WO-2011161201-A1 BISARYLSULFONAMIDES USEFUL AS KINASE INHIBITORS IN THE TREATMENT OF INFLAMMATION AND CANCER KANCERA AB (SE) 2011-12-29 WO disclosed
EP-1981854-B1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-06-01 EP disclosed
US-7897609-B2 Aryl substituted imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-01 US disclosed
US-7459564-B2 Substituted biaryl compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-02 US disclosed
EP-1981854-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS Brystol-Myers Squibb Company (US) 2008-10-22 EP disclosed
EP-1966141-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS Brystol-Myers Squibb Company (US) 2008-09-10 EP disclosed
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB CO. 2008-07-03 US disclosed
EP-1841504-A2 SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS Brystol-Myers Squibb Company (US) 2007-10-10 EP disclosed
US-20070219228-A1 Aryl substituted imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY 2007-09-20 US disclosed
WO-2007070818-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 WO disclosed
WO-2007070826-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 WO disclosed
WO-2006076575-A2 SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-20 WO disclosed
US-20060154915-A1 Substituted biaryl compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-07-13 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 (4 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-20120270853-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 SMN1; SMN2 3489/4885HPGD 2927/4885NPC1 4529/4885
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 SMN1; SMN2 3489/4885HPGD 2927/4885NPC1 4529/4885
US-20060154915-A1 Substituted biaryl compounds as factor XIa inhibitors TFPI, F3, F12 SMN1; SMN2 4630/4885HPGD 3840/4885NPC1 3347/4885
US-20070219228-A1 Aryl substituted imidazonaphthyridines IL2, IRF3, EIF2AK2 SMN1; SMN2 3309/4885HPGD 449/4885NPC1 2496/4885

“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.