SCHEMBL2025930

SCHEMBL2025930

NNC(=S)NCc1cc(F)ccc1Br

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.45
PLA2G1B P04054 2/20 0.42
ATG4B Q9Y4P1 2/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
ALOX12 P18054 1/20 0.41
IDO1 P14902 2/20 0.41
ALDH1A1 P00352 3/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TAAR1 Q96RJ0 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
SCHEMBL29372134 1.00 GAA (0.45) GAAPLA2G1BATG4BKMT2AMAPT
SCHEMBL7797904 0.82 PLA2G1B (0.44) PLA2G1BATG4BKMT2AMAPTALDH1A1
SCHEMBL2022034 0.81 ALDH1A1 (0.50) GAAPLA2G1BATG4BKMT2AMAPT
SCHEMBL15908528 0.79 L3MBTL1 (0.40) GAAPLA2G1BATG4BKMT2AMAPT
SCHEMBL12491645 0.77 KMT2A (0.38) GAAPLA2G1BATG4BKMT2AMAPT
SCHEMBL28101463 0.77 GAA (0.58) GAAKMT2AMAPTALOX12ALDH1A1
SCHEMBL20472487 0.76 P2RX7 (0.43) KMT2AALDH1A1
SCHEMBL29375481 0.75 CTSL (0.34) GAAPLA2G1BATG4BKMT2AMAPT
SCHEMBL13537180 0.74 MTNR1A (0.43) KMT2A
SCHEMBL2206871 0.74 ALDH1A1 (0.38) GAAKMT2AMAPTALOX12ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115246817-B Crystal form beta of compound A benzoate, preparation method thereof and pharmaceutical composition containing crystal form beta 深圳信立泰药业股份有限公司 2024-06-18 CN disclosed
CN-113493435-B Amorphous compound A benzoate, preparation method thereof and pharmaceutical composition containing amorphous compound A benzoate 深圳信立泰药业股份有限公司 2024-01-26 CN disclosed
CN-115246817-A Crystal form beta of compound A benzoate, preparation method thereof and pharmaceutical composition containing crystal form 深圳信立泰药业股份有限公司 2022-10-28 CN disclosed
CN-106349215-B Amorphous form of compound A benzoate, preparation method thereof and pharmaceutical composition containing amorphous form 深圳信立泰药业股份有限公司 2022-02-08 CN disclosed
CN-104803971-B Crystal form alpha of compound A mono benzoate, preparation method thereof and pharmaceutical composition containing crystal form 深圳信立泰药业股份有限公司 2021-11-30 CN disclosed
CN-113493435-A Amorphous form of compound A benzoate, preparation method thereof and pharmaceutical composition containing amorphous form 深圳信立泰药业股份有限公司 2021-10-12 CN disclosed
CN-106349216-B Crystal form alpha of compound A, preparation method thereof and pharmaceutical composition containing crystal form 深圳信立泰药业股份有限公司 2020-09-11 CN disclosed
US-9340523-B2 Certain dipeptidyl peptidase inhibitors FOCHON PHARMA, INC. (US) 2016-05-17 US disclosed
US-9340523-B2 Certain dipeptidyl peptidase inhibitors FOCHON PHARMA, INC. (US) 2016-05-17 US disclosed
EP-2521721-B1 3-(3-AMINOPIPERIDIN-1-YL)-5-OXO-1,2,4-TRIAZINE DERIVATES AS DIPEPTIDYL PEPTIDASE IV(DPP-IV) INHIBITORS SHANGHAI FOCHON PHARMACEUTICAL CO LTD (CN) 2014-10-01 EP disclosed
EP-2521721-B1 3-(3-AMINOPIPERIDIN-1-YL)-5-OXO-1,2,4-TRIAZINE DERIVATES AS DIPEPTIDYL PEPTIDASE IV(DPP-IV) INHIBITORS SHANGHAI FOCHON PHARMACEUTICAL CO LTD (CN) 2014-10-01 EP disclosed
US-20140213590-A1 CERTAIN DIPEPTIDYL PEPTIDASE INHIBITORS FOCHON PHARMA, INC. (US) 2014-07-31 US disclosed
US-20140213590-A1 CERTAIN DIPEPTIDYL PEPTIDASE INHIBITORS FOCHON PHARMA, INC. (US) 2014-07-31 US disclosed
US-8648073-B2 Certain dipeptidyl peptidase inhibitors FOCHON PHARMA, INC. (US) 2014-02-11 US disclosed
US-8648073-B2 Certain dipeptidyl peptidase inhibitors FOCHON PHARMA, INC. (US) 2014-02-11 US disclosed
EP-2521721-A1 3-(3-AMINOPIPERIDIN-1-YL)-5-OXO-1,2,4-TRIAZINE DERIVATES AS DIPEPTIDYL PEPTIDASE IV(DPP-IV) INHIBITORS Shanghai Fochon Pharmaceutical Co. Ltd (CN) 2012-11-14 EP disclosed
WO-2011079778-A1 3-(3-AMINOPIPERIDIN-1-YL)-5-OXO-1,2,4-TRIAZINE DERIVATES AS DIPEPTIDYL PEPTIDASE IV(DPP-IV) INHIBITORS CHINA SHANGHAI FOCHON PHARMACEUTICAL CO LTD (CN) 2011-07-07 WO disclosed
WO-2011079778-A1 3-(3-AMINOPIPERIDIN-1-YL)-5-OXO-1,2,4-TRIAZINE DERIVATES AS DIPEPTIDYL PEPTIDASE IV(DPP-IV) INHIBITORS CHINA SHANGHAI FOCHON PHARMACEUTICAL CO LTD (CN) 2011-07-07 WO disclosed
US-20110160212-A1 CERTAIN DIPEPTIDYL PEPTIDASE INHIBITORS FOCHON PHARMA, INC. 2011-06-30 US disclosed
US-20110160212-A1 CERTAIN DIPEPTIDYL PEPTIDASE INHIBITORS FOCHON PHARMA, INC. 2011-06-30 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 (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-20110160212-A1 CERTAIN DIPEPTIDYL PEPTIDASE INHIBITORS DPP4, DPP3, DPP8 GAA 97/4885PLA2G1B 2045/4885ATG4B 205/4885
US-20140213590-A1 CERTAIN DIPEPTIDYL PEPTIDASE INHIBITORS DPP4, DPP3, DPP8 GAA 97/4885PLA2G1B 2045/4885ATG4B 205/4885

“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.