SCHEMBL4856746

SCHEMBL4856746

CN(Cc1ccccc1Br)C(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.47
CTSK P43235 1/20 0.47
CTSL P07711 2/20 0.44
CTSB P07858 2/20 0.44
AKT1 P31749 2/20 0.43
KMT2A Q03164 6/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
RIPK1 Q13546 1/20 0.41
MALT1 Q9UDY8 1/20 0.39
TSHR P16473 1/20 0.38
KDM4A O75164 1/20 0.38
NQO2 P16083 1/20 0.37
KCNA5 P22460 1/20 0.37

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
SCHEMBL21903316 0.83 IDO1 (0.44) CTSSCTSLCTSBAKT1KMT2A
SCHEMBL4702416 0.83 AKT1 (0.46) CTSSCTSKCTSLCTSBAKT1
SCHEMBL5194439 0.81 KMT2A (0.49) KMT2AMEN1NPC1RAB9ARIPK1
SCHEMBL15261600 0.81 HTR2C (0.43) CTSSCTSKAKT1KMT2AMEN1
SCHEMBL4702705 0.79 KMT2A (0.40) CTSSCTSLCTSBAKT1KMT2A
SCHEMBL4702707 0.78 CTSL (0.39) CTSSCTSLCTSBAKT1KMT2A
SCHEMBL1329466 0.78 RIPK1 (0.60) CTSSCTSKKMT2AMEN1NPC1
SCHEMBL11358459 0.78 RIPK1 (0.54) CTSSCTSKCTSLCTSBAKT1
SCHEMBL12232503 0.76 CTSL (0.41) CTSSCTSLCTSBAKT1KMT2A
SCHEMBL29793814 0.76 NQO2 (0.56) CTSSCTSKKMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339133-B2 Method for producing triazolidinedione compound TOKUYAMA CORPORATION (JP) 2022-05-24 US disclosed
US-20210253541-A1 METHOD FOR PRODUCING TRIAZOLIDINEDIONE COMPOUND TOKUYAMA CORPORATION (JP) 2021-08-19 US disclosed
EP-3808735-A1 METHOD FOR PRODUCING TRIAZOLIDINEDIONE COMPOUND Tokuyama Corporation (JP) 2021-04-21 EP disclosed
CN-112236418-A Process for producing triazolidinedione compound 株式会社德山 2021-01-15 CN disclosed
US-8987263-B2 Basic esters of fatty alcohols and their use as anti-inflammatory or immunomodulatory agents YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2015-03-24 US disclosed
EP-1532103-A4 USE OF COMPOUNDS HAVING AN AMINE NUCLEUS IN MANUFACTURE OF A MEDICAMENT USEFUL FOR TREATING FACTOR VIIA-ASSOCIATED CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2008-03-05 EP disclosed
US-20060173057-A1 Methods of treating factor VIIa-associated conditions with compounds having an amine nucleus HERPIN TIMOTHY 2006-08-03 US disclosed
US-20060173053-A1 Basic esters of fatty alcohols and their use as anti-inflammatory or immunomodulatory agents YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2006-08-03 US disclosed
US-7041692-B2 Methods of treating factor VIIa-associated conditions with compounds having an amine nucleus BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-09 US disclosed
EP-1551495-A2 BASIC ESTERS OF FATTY ALCOHOLS AND THEIR USE AS ANTI-INFLAMMATORY OR IMMUNOMODULATORY AGENTS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2005-07-13 EP disclosed
EP-1532103-A2 USE OF COMPOUNDS HAVING AN AMINE NUCLEUS IN MANUFACTURE OF A MEDICAMENT USEFUL FOR TREATING FACTOR VIIA-ASSOCIATED CONDITIONS Bristol-Myers Squibb Company (US) 2005-05-25 EP disclosed
WO-2004032824-A2 BASIC ESTERS OF FATTY ALCOHOLS AND THEIR USE AS ANTI-INFLAMMATORY OR IMMUNOMODULATORY AGENTS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2004-04-22 WO disclosed
US-20040029940-A1 Methods of treating factor VIIa-associated conditions with compounds having an amine nucleus BRISTOL-MYERS SQUIBB COMPANY 2004-02-12 US disclosed
WO-2004000788-A1 UREIDO-SUBSTITUTED ANILINE COMPOUNDS USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-31 WO disclosed
WO-2004000214-A2 USE OF COMPOUNDS HAVING AN AMINE NUCLEUS IN MANUFACTURE OF A MEDICAMENT USEFUL FOR TREATING FACTOR VIIA-ASSOCIATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-31 WO disclosed
US-6596747-B2 For therapy of diseases associdated with Factor VIIa and or inosine monophosphate dehydrogenase (IMPDH) BRISTOL-MYERS SQUIBB COMPANY 2003-07-22 US disclosed
US-20020143176-A1 Compounds derived from an amine nucleus and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY 2002-10-03 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 (6 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-20060173057-A1 Methods of treating factor VIIa-associated conditions with compounds having an amine nucleus F7, F8, F13B CTSS 957/4885CTSK 1140/4885CTSL 1426/4885
US-20210253541-A1 METHOD FOR PRODUCING TRIAZOLIDINEDIONE COMPOUND WEE1, PEAK1, ITK CTSS 2748/4885CTSK 508/4885CTSL 2564/4885
US-20020143176-A1 Compounds derived from an amine nucleus and pharmaceutical compositions comprising same IMPDH1, IMPDH2, IMPA1 CTSS 924/4885CTSK 1476/4885CTSL 850/4885
US-20060173053-A1 Basic esters of fatty alcohols and their use as anti-inflammatory or immunomodulatory agents ALOX12, ALOX15, ALOX15B CTSS 3410/4885CTSK 4440/4885CTSL 3283/4885
US-20040029940-A1 Methods of treating factor VIIa-associated conditions with compounds having an amine nucleus F7, F8, F13B CTSS 1053/4885CTSK 1206/4885CTSL 1520/4885
US-11339133-B2 Method for producing triazolidinedione compound WEE1, PEAK1, ITK CTSS 2748/4885CTSK 508/4885CTSL 2564/4885

“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.