SCHEMBL4635793

SCHEMBL4635793

CCOC(=O)c1csc(NC(=O)c2cc(NC(=O)OC(C)(C)C)cn2C)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.51
SMN1; SMN2 Q16637 6/20 0.51
NPC1 O15118 5/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
HPGD P15428 3/20 0.49
TSHR P16473 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 2/20 0.48
HSD17B10 Q99714 2/20 0.48
ABCB1 P08183 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSP90AA1 P07900 3/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 3/20 0.47
POLB P06746 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GCK P35557 1/20 0.46

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
SCHEMBL4012593 0.99 RAB9A (0.50) RAB9ASMN1; SMN2NPC1CYP1A2CYP2C19
SCHEMBL3932900 0.98 ABCB1 (0.49) RAB9ASMN1; SMN2NPC1CYP1A2CYP2C19
SCHEMBL3933864 0.95 ABCB1 (0.49) RAB9ASMN1; SMN2NPC1CYP1A2CYP2C19
SCHEMBL13879846 0.94 RAB9A (0.46) RAB9ASMN1; SMN2NPC1CYP1A2CYP2C19
SCHEMBL13879896 0.87 ABCB1 (0.44) RAB9ASMN1; SMN2NPC1CYP1A2CYP2C19
SCHEMBL14072174 0.86 ABCB1 (0.45) RAB9ASMN1; SMN2NPC1CYP1A2CYP2C19
SCHEMBL4712373 0.86 SREBF2 (0.46) RAB9ASMN1; SMN2NPC1TDP1LMNA
SCHEMBL2025190 0.86 SREBF2 (0.46) RAB9ASMN1; SMN2NPC1TDP1LMNA
SCHEMBL3939239 0.86 ABCB1 (0.41) RAB9ASMN1; SMN2NPC1HPGDTSHR
SCHEMBL14084722 0.85 RAB9A (0.55) RAB9ASMN1; SMN2NPC1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637664-B2 Alkyl 4- [4- (5-oxo-2,3,5, 11a-tetrahydo-5H-pyrrolo [2, 1-c] [1,4] benzodiazepine-8-yloxy)-butyrylamino]-1H-pyrrole-2-carboxylate derivatives and related compounds for the treatment of a proliferative disease SPIROGEN SARL (CH) 2014-01-28 US disclosed
US-8637664-B2 Alkyl 4- [4- (5-oxo-2,3,5, 11a-tetrahydo-5H-pyrrolo [2, 1-c] [1,4] benzodiazepine-8-yloxy)-butyrylamino]-1H-pyrrole-2-carboxylate derivatives and related compounds for the treatment of a proliferative disease SPIROGEN SARL (CH) 2014-01-28 US disclosed
US-8637664-B2 Alkyl 4- [4- (5-oxo-2,3,5, 11a-tetrahydo-5H-pyrrolo [2, 1-c] [1,4] benzodiazepine-8-yloxy)-butyrylamino]-1H-pyrrole-2-carboxylate derivatives and related compounds for the treatment of a proliferative disease SPIROGEN SARL (CH) 2014-01-28 US disclosed
EP-1931671-B1 ALKYL 4- [4- (5-OXO-2, 3, 5, 11A-TETRAHYD0-5H-PYRR0L0 [2, 1-C][1, 4]BENZODIAZEPINE-8-YLOXY) -BUTYRYLAMINO]-1H-PYRROLE-2-CARBOXYLATE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF A PROLIFERATIVE DISEASE SPIROGEN LTD (GB) 2009-04-08 EP disclosed
US-20080214525-A1 Alkyl 4- [4- (5-Oxo-2,3,5, 11A-Tetrahydo-5H-Pyrrolo [2, 1-C] [1,4] Benzodiazepine-8-Yloxy) -Butyrylamino]-1H-Pyrrole-2-Carboxylate Derivatives and Related Compounds For the Treatment of a Proliferative Disease SPIROGEN LIMITED (GB) 2008-09-04 US disclosed
US-20080214525-A1 Alkyl 4- [4- (5-Oxo-2,3,5, 11A-Tetrahydo-5H-Pyrrolo [2, 1-C] [1,4] Benzodiazepine-8-Yloxy) -Butyrylamino]-1H-Pyrrole-2-Carboxylate Derivatives and Related Compounds For the Treatment of a Proliferative Disease SPIROGEN LIMITED (GB) 2008-09-04 US disclosed
EP-1931671-A1 ALKYL 4- [4- (5-OXO-2, 3, 5, 11A-TETRAHYD0-5H-PYRR0L0 [2, 1-C][1, 4]BENZODIAZEPINE-8-YLOXY) -BUTYRYLAMINO]-1H-PYRROLE-2-CARBOXYLATE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF A PROLIFERATIVE DISEASE Spirogen Limited (GB) 2008-06-18 EP disclosed
WO-2007039752-A1 ALKYL 4- [4- (5-OXO-2, 3, 5, 11A-TETRAHYD0-5H-PYRR0L0 [2, 1-C] [1, 4] BENZODIAZEPINE-8-YLOXY) -BUTYRYLAMINO]-1H-PYRROLE-2-CARBOXYLATE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF A PROLIFERATIVE DISEASE SPIROGEN LIMITED (GB) 2007-04-12 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 (1 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-20080214525-A1 Alkyl 4- [4- (5-Oxo-2,3,5, 11A-Tetrahydo-5H-Pyrrolo [2, 1-C] [1,4] Benzodiazepine-8-Yloxy) -Butyrylamino]-1H-Pyrrole-2-Carboxylate Derivatives and Related Compounds For the Treatment of a Proliferative Disease CCNY, NR0B1, CNR1 RAB9A 2266/4885SMN1; SMN2 1132/4885NPC1 1323/4885

“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.