SCHEMBL479103

SCHEMBL479103

COC(=O)C(Cc1ccc(F)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.67
CTSK P43235 6/20 0.67
NOS2 P35228 6/20 0.58
NOS3 P29474 3/20 0.58
NOS1 P29475 3/20 0.58
KLK5 Q9Y337 1/20 0.57
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
CA12 O43570 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
ACE P12821 1/20 0.49
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL479104 1.00 CTSS (0.67) CTSSCTSKNOS2NOS3NOS1
SCHEMBL25382593 1.00 CTSS (0.67) CTSSCTSKNOS2NOS3NOS1
SCHEMBL2108340 0.93 CTSS (0.68) CTSSCTSKNOS2NOS3NOS1
SCHEMBL2108343 0.93 CTSS (0.68) CTSSCTSKNOS2NOS3NOS1
SCHEMBL3499367 0.91 CTSS (0.57) CTSSCTSKNOS2NOS3NOS1
SCHEMBL2479479 0.91 CTSS (0.66) CTSSCTSKNOS2NOS3NOS1
SCHEMBL3499368 0.91 CTSS (0.57) CTSSCTSKNOS2NOS3NOS1
SCHEMBL22962369 0.91 CTSS (0.66) CTSSCTSKNOS2NOS3NOS1
SCHEMBL27477981 0.91 CTSS (0.57) CTSSCTSKNOS2NOS3NOS1
SCHEMBL16459725 0.88 CTSS (0.63) CTSSCTSKNOS2NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023165334-A1 KETO AMIDE DERIVATIVES AND PHARMACEUTICAL USE THEREOF 成都威斯克生物医药有限公司 2023-09-07 WO disclosed
CN-116693447-A Ketone amide derivative and pharmaceutical application thereof 成都威斯克生物医药有限公司 2023-09-05 CN disclosed
US-20220169581-A1 DIRECT AROMATIC CARBON-OXYGEN AND CARBON-HYDROGEN BOND FUNCTIONALIZATION VIA ORGANIC PHOTOREDOX CATALYST THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2022-06-02 US disclosed
US-10385007-B2 Monamine and monoamine derivatives as inhibitors of leukotriene A4 hydrolase CELTAXSYS, INC. (US) 2019-08-20 US disclosed
US-20180162802-A1 MONAMINE AND MONOAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELLTAXIS, LLC 2018-06-14 US disclosed
US-20180162802-A1 MONAMINE AND MONOAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELLTAXIS, LLC 2018-06-14 US disclosed
WO-2018107158-A1 MONAMINE AND MONOAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELTAXSYS, INC. (US) 2018-06-14 WO disclosed
US-8324199-B2 Pyridazine derivatives as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 US disclosed
EP-2265601-B1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-02-01 EP disclosed
CN-102026996-A Pyridazine derivatives as factor XIA inhibitors BRISTOL MYERS SQUIBB CO 2011-04-20 CN disclosed
US-20110021492-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-01-27 US disclosed
EP-2265601-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2010-12-29 EP disclosed
WO-2009114677-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-17 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 (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-10385007-B2 Monamine and monoamine derivatives as inhibitors of leukotriene A4 hydrolase LTA4H, MAOB, LTB4R CTSS 167/4885CTSK 245/4885NOS2 599/4885
US-20180162802-A1 MONAMINE AND MONOAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, MAOB, LTB4R CTSS 167/4885CTSK 245/4885NOS2 599/4885
US-20110021492-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS F11, F12, TFPI2 CTSS 541/4885CTSK 273/4885NOS2 2797/4885
US-20220169581-A1 DIRECT AROMATIC CARBON-OXYGEN AND CARBON-HYDROGEN BOND FUNCTIONALIZATION VIA ORGANIC PHOTOREDOX CATALYST PPOX, CYCS, SCO2 CTSS 899/4885CTSK 1746/4885NOS2 438/4885

“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.