SCHEMBL6437798

SCHEMBL6437798

CC(N)(C(=O)O)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
THRB P10828 2/20 0.36
GGT1 P19440 1/20 0.34
GRM2 Q14416 1/20 0.33
ODC1 P11926 1/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2D6 P10635 1/20 0.32
HIF1A Q16665 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
BLM P54132 2/20 0.31
ARG1 P05089 1/20 0.31
ARG2 P78540 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
PMP22 Q01453 1/20 0.31

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
SCHEMBL6439208 1.00 ALDH1A1 (0.40) ALDH1A1TSHRTHRBGGT1GRM2
Hydrochloric Acid SCHEMBL19900734 0.97 ALDH1A1 (0.38) ALDH1A1TSHRTHRBGGT1GRM2
Hydrochloric Acid SCHEMBL19900791 0.97 ALDH1A1 (0.38) ALDH1A1TSHRTHRBGGT1GRM2
Hydrochloric Acid SCHEMBL19900732 0.97 ALDH1A1 (0.38) ALDH1A1TSHRTHRBGGT1GRM2
SCHEMBL24800104 0.83 THRB (0.44) ALDH1A1TSHRTHRBGGT1GRM2
SCHEMBL24799610 0.82 ALDH1A1 (0.40) ALDH1A1TSHRTHRBGGT1GRM2
SCHEMBL8818106 0.81 ALDH1A1 (0.44) ALDH1A1TSHRTHRBGGT1GRM2
SCHEMBL1629960 0.81 ALDH1A1 (0.44) ALDH1A1TSHRTHRBGGT1GRM2
SCHEMBL3821556 0.81 ALDH1A1 (0.44) ALDH1A1TSHRTHRBGGT1GRM2
SCHEMBL8689663 0.81 ALDH1A1 (0.50) ALDH1A1TSHRTHRBGGT1GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3743430-B1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-08-02 EP disclosed
US-11618753-B2 Aminopyrrolotriazines as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-04-04 US disclosed
CN-112262139-A Aminopyrrolotriazines as kinase inhibitors 百时美施贵宝公司 2021-01-22 CN disclosed
EP-3431489-B1 DIPEPTIDE ANALOGS FOR TREATING CONDITIONS ASSOCIATED WITH AMYLOID FIBRIL FORMATION UNIV RAMOT (IL) 2020-12-23 EP disclosed
EP-3431489-B1 DIPEPTIDE ANALOGS FOR TREATING CONDITIONS ASSOCIATED WITH AMYLOID FIBRIL FORMATION UNIV RAMOT (IL) 2020-12-23 EP disclosed
EP-3743430-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2020-12-02 EP disclosed
US-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-11-05 US disclosed
WO-2019147782-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-01 WO disclosed
EP-3431489-A1 DIPEPTIDE ANALOGS FOR TREATING CONDITIONS ASSOCIATED WITH AMYLOID FIBRIL FORMATION Ramot at Tel-Aviv University Ltd. (IL) 2019-01-23 EP disclosed
EP-3431489-A1 DIPEPTIDE ANALOGS FOR TREATING CONDITIONS ASSOCIATED WITH AMYLOID FIBRIL FORMATION Ramot at Tel-Aviv University Ltd. (IL) 2019-01-23 EP disclosed
WO-2012076672-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 WO disclosed
WO-2012076672-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 WO disclosed
WO-2012066549-A1 DIPEPTIDE ANALOGS FOR TREATING CONDITIONS ASSOCIATED WITH AMYLOID FIBRIL FORMATION RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2012-05-24 WO disclosed
EP-1155138-B1 METHOD FOR PREPARING OPTICALLY ACTIVE 3,3,3-TRIFLUOROMETHYL-2-ALKYL PROPIONIC ACID DERIVATIVES LONZA AG (CH) 2005-01-05 EP disclosed
US-6599721-B2 Chemical intermediates; hydrolysis using hydrolases LONZA AG (CH) 2003-07-29 US disclosed
US-6008386-A ALPHA-AMINO ACIDS BEARING AN OXIRANE RING ON THE ALPHA CARBON IN PLACE OF THE ALPHA-PROTON; IRREVERSIBLE INHIBITORS FOR AMINO ACID DECARBOXYLASES BOARD OF REGENTS UNIVERSITY OF NEBRASKA-LINCOLN (US) 1999-12-28 US disclosed
US-5705660-A Method for the synthesis of α-oxiranyl amino acids BOARD OF REGENTS, UNIVERSITY OF NEBRASKA-LINCOLN 1998-01-06 US disclosed
US-5686492-A NMR DIAGNOSTIC AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1997-11-11 US disclosed
EP-0799197-A1 DISUBSTITUTED P-FLUOROBENZOLSULFONAMIDES AND THEIR USE IN NMR DIAGNOSTICS SCHERING AKTIENGESELLSCHAFT (DE) 1997-10-08 EP disclosed
WO-1996019447-A1 DISUBSTITUTED P-FLUOROBENZOLSULFONAMIDES AND THEIR USE IN NMR DIAGNOSTICS SCHERING AKTIENGESELLSCHAFT (DE) 1996-06-27 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 (2 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-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS RIPK1, RIPK2, RIPK4 ALDH1A1 4108/4885TSHR 3798/4885THRB 2508/4885
US-11618753-B2 Aminopyrrolotriazines as kinase inhibitors RIPK1, RIPK2, RIPK4 ALDH1A1 4108/4885TSHR 3798/4885THRB 2508/4885

“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.