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SCHEMBL475486

SCHEMBL475486

COC(=O)C1CC(OCc2ccccc2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.52
▸ KLK7 P49862 1/20 0.48
▸ MCL1 Q07820 5/20 0.45
▸ UCHL1 P09936 1/20 0.44
▸ P2RX3 P56373 1/20 0.44
▸ AGTR2 P50052 2/20 0.42
▸ NR1H2 P55055 1/20 0.42
▸ NR1H3 Q13133 1/20 0.42
▸ BDKRB2 P30411 2/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ KLK5 Q9Y337 1/20 0.41
▸ HTRA1 Q92743 1/20 0.41
▸ MMP9 P14780 1/20 0.41

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
SCHEMBL3191348 1.00 ABCB1 (0.52) ABCB1KLK7MCL1UCHL1P2RX3
SCHEMBL3854950 1.00 ABCB1 (0.52) ABCB1KLK7MCL1UCHL1P2RX3
SCHEMBL475487 1.00 ABCB1 (0.52) ABCB1KLK7MCL1UCHL1P2RX3
SCHEMBL18093988 1.00 ABCB1 (0.52) ABCB1KLK7MCL1UCHL1P2RX3
SCHEMBL29548369 0.94 MCL1 (0.50) ABCB1KLK7MCL1UCHL1P2RX3
SCHEMBL1238420 0.92 ABCB1 (0.46) ABCB1KLK7MCL1UCHL1P2RX3
SCHEMBL1238418 0.92 ABCB1 (0.46) ABCB1KLK7MCL1UCHL1P2RX3
SCHEMBL21273903 0.91 ABCB1 (0.54) ABCB1KLK7MCL1UCHL1AGTR2
SCHEMBL1448111 0.91 ABCB1 (0.54) ABCB1KLK7MCL1UCHL1AGTR2
SCHEMBL7703700 0.91 ABCB1 (0.54) ABCB1KLK7MCL1UCHL1AGTR2

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
WO-2023009585-A2 TRANSTHYRETIN STABILIZING COMPOUNDS PROTEGO BIOPHARMA, INC. (US) 2023-02-02 — — WO disclosed
WO-2020113077-A9 COMPOSITIONS AND METHODS FOR MODULAR CONTROL OF BIOORTHOGONAL LIGATION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-08-13 — — WO disclosed
WO-2020113077-A1 COMPOSITIONS AND METHODS FOR MODULAR CONTROL OF BIOORTHOGONAL LIGATION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-06-04 — — WO disclosed
US-9340547-B2 Pyrrolotriazinone derivatives as inhibitors P13K ALMIRALL, S.A. (ES) 2016-05-17 — — US disclosed
EP-2702061-B9 PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS ALMIRALL SA (ES) 2016-02-24 — — EP disclosed
EP-2702061-B1 PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS ALMIRALL SA (ES) 2015-07-29 — — EP disclosed
US-20150099752-A9 PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS ALMIRALL, SA (ES) 2015-04-09 — — US disclosed
US-20140163033-A1 PYRROLOTRIAZINONE DERIVATIVES AS P13K INHIBITORS ALMIRALL, SA (ES) 2014-06-12 — — US disclosed
US-20130102593-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF PURDUE RESEARCH FOUNDATION 2013-04-25 — — US disclosed
US-20130059840-A1 SULFONAMIDO PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2013-03-07 — — US disclosed
WO-2010042892-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2010-04-15 — — WO disclosed
EP-1409463-B1 N-HETEROCYCLIC INHIBITORS OF TNF-ALPHA EXPRESSION BRISTOL MYERS SQUIBB CO (US) 2010-02-24 — — EP disclosed
EP-1242385-B1 CYTOKINE, ESPECIALLY TNF-ALPHA, INHIBITORS PHARMACOPEIA INC (US) 2009-11-25 — — EP disclosed
US-7479495-B2 N-heterocyclic inhibitors of TNF-α expression PHARMACOPEIA, INC. (US) 2009-01-20 — — US disclosed
US-20050239770-A1 N-heterocyclic inhibitors of TNF-alpha expression MORIARTY KEVIN J 2005-10-27 — — US disclosed
US-6906067-B2 N-heterocyclic inhibitors of TNF-α expression BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-14 — — US disclosed
US-20020137747-A1 N- heterocyclic inhibitors of TNF-alpha expression PHARMACEOPEIA, INC. 2002-09-26 — — US disclosed
EP-1242385-A1 CYTOKINE, ESPECIALLY TNF-ALPHA, INHIBITORS PHARMACOPEIA, INC. (US) 2002-09-25 — — EP disclosed
US-20020065270-A1 N-heterocyclic inhibitors of TNF-alpha expression PHARMACOPEIA, INC. 2002-05-30 — — US disclosed
WO-2001047897-A1 CYTOKINE, ESPECIALLY TNF-ALPHA, INHIBITORS PHARMACOPEIA, INC. (US) 2001-07-05 — — 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 (7 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-20050239770-A1 N-heterocyclic inhibitors of TNF-alpha expression TNF, RELA, NFKBIA ABCB1 1305/4885KLK7 3878/4885MCL1 645/4885
US-20140163033-A1 PYRROLOTRIAZINONE DERIVATIVES AS P13K INHIBITORS PIP4K2B, PDPK1, PI4KA ABCB1 408/4885KLK7 2746/4885MCL1 1123/4885
US-20130059840-A1 SULFONAMIDO PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE1, BACE2, GSAP ABCB1 3015/4885KLK7 1877/4885MCL1 2643/4885
US-20150099752-A9 PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS PIK3CD, PIK3CA, PIK3CB ABCB1 356/4885KLK7 3968/4885MCL1 1165/4885
US-20020137747-A1 N- heterocyclic inhibitors of TNF-alpha expression TNF, NFKBIA, RELA ABCB1 1308/4885KLK7 4018/4885MCL1 460/4885
US-20020065270-A1 N-heterocyclic inhibitors of TNF-alpha expression TNF, NFKBIA, RELA ABCB1 1308/4885KLK7 4018/4885MCL1 460/4885
US-20130102593-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE1, BACE2, APP ABCB1 2920/4885KLK7 2710/4885MCL1 2947/4885

“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.