SCHEMBL9078939

SCHEMBL9078939

CC(/N=C/c1ccc(Cl)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.40
CYP3A4 P08684 2/20 0.40
NFKB1 P19838 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 3/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
LMNA P02545 2/20 0.39
PMP22 Q01453 1/20 0.39
NLRP3 Q96P20 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL12865426 1.00 MIF (0.40) MIFCYP3A4NFKB1SMN1; SMN2CYP2C9
SCHEMBL9077491 1.00 MIF (0.40) MIFCYP3A4NFKB1SMN1; SMN2CYP2C9
SCHEMBL9077488 1.00 MIF (0.40) MIFCYP3A4NFKB1SMN1; SMN2CYP2C9
SCHEMBL8667692 0.85 MAPT (0.40) MIFNFKB1SMN1; SMN2NPC1RECQL
SCHEMBL4091240 0.85 MAPT (0.40) MIFNFKB1SMN1; SMN2NPC1RECQL
SCHEMBL4091245 0.85 MAPT (0.40) MIFNFKB1SMN1; SMN2NPC1RECQL
SCHEMBL6992245 0.83 NOS2 (0.49) MIFRECQLMAPTLMNAALDH1A1
SCHEMBL7420415 0.83 NOS2 (0.49) MIFRECQLMAPTLMNAALDH1A1
SCHEMBL7420416 0.83 NOS2 (0.49) MIFRECQLMAPTLMNAALDH1A1
SCHEMBL6992247 0.83 NOS2 (0.49) MIFRECQLMAPTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12590089-B2 Processes for preparing toll-like receptor modulator compounds GILEAD SCIENCES, INC. (US) 2026-03-31 US disclosed
US-20240239816-A1 BORONO-PHENYLALANINE DERIVATIVE STELLA PHARMA CORPORATION (JP) 2024-07-18 US disclosed
EP-4361159-A1 BORONO-PHENYLALANINE DERIVATIVE Stella Pharma Corporation (JP) 2024-05-01 EP disclosed
WO-2022270143-A1 BORONO-PHENYLALANINE DERIVATIVE ステラファーマ株式会社 2022-12-29 WO disclosed
US-20220274985-A1 PROCESSES FOR PREPARING TOLL-LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2022-09-01 US disclosed
EP-3990455-A1 PROCESSES FOR PREPARING TOLL-LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2022-05-04 EP disclosed
US-11286257-B2 Processes for preparing toll-like receptor modulator compounds GILEAD SCIENCES, INC. (US) 2022-03-29 US disclosed
US-11028052-B2 Compounds useful as modulators of TRPM8 FIRMENICH INCORPORATED (US) 2021-06-08 US disclosed
EP-3461816-B1 FIVE-MEMBERED HETEROCYLIC COMPOUNDS USEFUL AS MODULATORS OF TRPM8 FIRMENICH INCORPORATED (US) 2021-03-24 EP disclosed
US-20210017170-A1 PROCESSES FOR PREPARING TOLL-LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2021-01-21 US disclosed
US-9409866-B2 Pyridine-2-amides useful as CB2 agonists HOFFMANN-LA ROCHE INC. (US) 2016-08-09 US disclosed
US-20150376136-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 SENOMYX, INC. 2015-12-31 US disclosed
EP-2958897-A2 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 Senomyx, Inc. (US) 2015-12-30 EP disclosed
US-20150344429-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2015-12-03 US disclosed
EP-2928867-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS F. Hoffmann-La Roche AG (CH) 2015-10-14 EP disclosed
WO-2014130582-A2 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 SENOMYX, INC. (US) 2014-08-28 WO disclosed
WO-2014086805-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2014-06-12 WO disclosed
US-8507669-B2 Optically active dibenzazepine derivatives NIPPON SODA CO., LTD. (JP) 2013-08-13 US disclosed
US-20110034688-A1 OPTICALLY ACTIVE DIBENZAZEPINE DERIVATIVES NIPPON SODA CO., LTD. (JP) 2011-02-10 US disclosed
US-5554753-A Catalytic enantioselective synthesis of α-amino acid derivatives by phase-transfer catalysis INDIANA UNIVERSITY FOUNDATION (US) 1996-09-10 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 (9 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-20110034688-A1 OPTICALLY ACTIVE DIBENZAZEPINE DERIVATIVES DRD1, DRD4, DRD2 MIF 3961/4885CYP3A4 113/4885NFKB1 1790/4885
US-12590089-B2 Processes for preparing toll-like receptor modulator compounds TLR8, MYD88, TLR6 MIF 20/4885CYP3A4 4572/4885NFKB1 246/4885
US-20150344429-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS CNR2, CNR1, GPR52 MIF 4657/4885CYP3A4 649/4885NFKB1 2359/4885
US-20150376136-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM7, TRPA1 MIF 2223/4885CYP3A4 1940/4885NFKB1 3891/4885
US-20240239816-A1 BORONO-PHENYLALANINE DERIVATIVE SLC7A1, SLC1A5, LATS2 MIF 4297/4885CYP3A4 2084/4885NFKB1 1644/4885
US-20220274985-A1 PROCESSES FOR PREPARING TOLL-LIKE RECEPTOR MODULATOR COMPOUNDS TLR4, TLR3, TLR6 MIF 232/4885CYP3A4 2667/4885NFKB1 179/4885
US-20210017170-A1 PROCESSES FOR PREPARING TOLL-LIKE RECEPTOR MODULATOR COMPOUNDS TLR4, TLR3, TLR6 MIF 232/4885CYP3A4 2667/4885NFKB1 179/4885
US-11028052-B2 Compounds useful as modulators of TRPM8 TRPM8, TRPM7, TRPA1 MIF 2223/4885CYP3A4 1940/4885NFKB1 3891/4885
US-11286257-B2 Processes for preparing toll-like receptor modulator compounds TLR4, TLR3, TLR6 MIF 232/4885CYP3A4 2667/4885NFKB1 179/4885

“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.