SCHEMBL3779382

SCHEMBL3779382

COc1cc(C(F)(F)F)c(C=O)cn1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.42
ERN1 O75460 3/20 0.42
GAA P10253 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SLC22A12 Q96S37 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.39
NPC1 O15118 1/20 0.36
MAPK3 P27361 4/20 0.36
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NNMT P40261 1/20 0.35

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
SCHEMBL29611967 0.81 MAPT (0.41) MAPTMEN1KMT2APOLBGAA
SCHEMBL21459929 0.81 MAPT (0.41) MAPTMEN1KMT2APOLBGAA
SCHEMBL21459932 0.81 MAPT (0.41) MAPTMEN1KMT2APOLBGAA
SCHEMBL3785658 0.79 MAPT (0.46) MAPTMEN1KMT2APOLBGAA
SCHEMBL3785660 0.79 MAPT (0.46) MAPTMEN1KMT2APOLBGAA
SCHEMBL3776167 0.79 MAPT (0.46) MAPTMEN1KMT2APOLBGAA
SCHEMBL3776171 0.79 MAPT (0.46) MAPTMEN1KMT2APOLBGAA
SCHEMBL27743601 0.79 ERN1 (0.37) ERN1SLC22A12KDM4EALDH1A1TSHR
SCHEMBL29113189 0.78 MAPT (0.38) MAPTMEN1KMT2AERN1
SCHEMBL17161149 0.77 ERN1 (0.51) MAPTMEN1KMT2AERN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3773573-B1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC INC (US) 2026-03-18 EP disclosed
EP-4559525-A2 INHIBITING HUMAN INTEGRIN ALPHA4BETA7 Morphic Therapeutic, Inc. (US) 2025-05-28 EP disclosed
EP-4045039-B1 INHIBITING HUMAN INTEGRIN ALPHA4BETA7 MORPHIC THERAPEUTIC INC (US) 2025-04-23 EP disclosed
US-12221416-B2 Antagonists of human integrin α4β7 MORPHIC THERAPEUTIC, INC. (US) 2025-02-11 US disclosed
WO-2025026955-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2025-02-06 WO disclosed
CN-119192137-A Inhibition of human integrin alpha4β7 莫菲克医疗股份有限公司 2024-12-27 CN disclosed
US-20240294475-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. 2024-09-05 US disclosed
US-20240174632-A1 INHIBITING HUMAN INTEGRIN (ALPHA-4) (BETA-7) MORPHIC THERAPEUTIC, INC. (US) 2024-05-30 US disclosed
CN-116783161-A Inhibition of human integrin A4B7 莫菲克医疗股份有限公司 2023-09-19 CN disclosed
EP-4228634-A1 INHIBITING HUMAN INTEGRIN A4B7 Morphic Therapeutic, Inc. (US) 2023-08-23 EP disclosed
WO-2019200202-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. (US) 2019-10-17 WO disclosed
EP-3489235-A1 TRICYCLIC COMPOUND AS CRTH2 INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-05-29 EP disclosed
US-9096593-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2015-08-04 US disclosed
EP-2054411-B1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORP (KR) 2014-08-20 EP disclosed
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2014-02-13 US disclosed
WO-2011057022-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-05-12 WO disclosed
US-7858621-B2 Compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and pharmaceutical compositions containing the same AMOREPACIFIC CORPORATION (KR) 2010-12-28 US disclosed
EP-2054411-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Amorepacific Corporation (KR) 2009-05-06 EP disclosed
US-20080312234-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2008-12-18 US disclosed
WO-2008013414-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2008-01-31 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 (5 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-20080312234-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, TRPV2 MAPT 4340/4885MEN1 1024/4885KMT2A 4527/4885
US-12221416-B2 Antagonists of human integrin α4β7 ITGB7, ITGB4, ITGA4 MAPT 4079/4885MEN1 4018/4885KMT2A 3945/4885
US-20240174632-A1 INHIBITING HUMAN INTEGRIN (ALPHA-4) (BETA-7) ITGB7, ITGB4, ITGA4 MAPT 3333/4885MEN1 3435/4885KMT2A 4306/4885
US-20240294475-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 MAPT 3710/4885MEN1 3346/4885KMT2A 4210/4885
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, FLT3, BRAF MAPT 1276/4885MEN1 301/4885KMT2A 1521/4885

“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.