SCHEMBL1055849

SCHEMBL1055849

NC(=O)c1ccc(O)cc1F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.62
CES2 O00748 2/20 0.45
PARP10 Q53GL7 4/20 0.44
PARP15 Q460N3 2/20 0.44
ALDH1A1 P00352 4/20 0.43
TSHR P16473 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CES1 P23141 1/20 0.43
PARP14 Q460N5 1/20 0.43
MIF P14174 1/20 0.43
GFER P55789 1/20 0.42
LCK P06239 1/20 0.42
PARP1 P09874 1/20 0.42
MAPK1 P28482 1/20 0.41
CHRNA7 P36544 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
SCHEMBL201365 0.83 CLK1 (0.47) DGAT1CES2ALDH1A1TSHRCA12
SCHEMBL11015067 0.82 CES2 (0.48) DGAT1CES2ALDH1A1TSHRCA12
SCHEMBL3816558 0.80 CES2 (0.46) DGAT1CES2ALDH1A1TSHRCA12
SCHEMBL311907 0.80 CA12 (0.61) CES2ALDH1A1TSHRCA12CA1
SCHEMBL29758181 0.80 CES2 (0.68) DGAT1CES2PARP10PARP15ALDH1A1
SCHEMBL293958 0.80 CES2 (0.68) DGAT1CES2PARP10PARP15ALDH1A1
SCHEMBL1805264 0.79 CES2 (0.50) DGAT1CES2PARP10ALDH1A1TSHR
Hydrochloric Acid SCHEMBL30628427 0.78 CES2 (0.65) DGAT1CES2PARP10PARP15ALDH1A1
SCHEMBL113659 0.78 DGAT1 (0.62) DGAT1CES2PARP10PARP15ALDH1A1
Hydrochloric Acid SCHEMBL3851067 0.78 CES2 (0.65) DGAT1CES2PARP10PARP15ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3056198-A2 USE OF COMPOUNDS FOR INDUCING DIFFERENTIATION OF MESENCHYMAL STEM CELLS TO CHONDROCYTES MSP Co., Ltd (KR) 2016-08-17 EP claimed
EP-2617415-B1 USE OF A COMPOUND FOR INDUCING DIFFERENTIATION OF MESENCHYMAL STEM CELLS INTO CARTILAGE CELLS CATHOLIC KWANDONG UNIVERSITY INDUSTRY FOUNDATION (KR) 2016-04-20 EP claimed
US-20150252003-A1 Use of a Compound for Inducing Differentiation of Mesenchymal Stem Cells into Cartilage Cells MSP CO., LTD. (KR) 2015-09-10 US claimed
US-9068166-B2 Use of compounds for inducing differentiation of mesenchymal stem cells to chondrocytes INDUSTRY-ACADEMIC COOPERATION FOUNDATION YONSEI UNIVERSITY (KR) 2015-06-30 US claimed
US-20130236969-A1 Use of Compounds for Inducing Differentiation of Mesenchymal Stem Cells to Chondrocytes INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2013-09-12 US claimed
EP-2617415-A2 USE OF A COMPOUND FOR INDUCING DIFFERENTIATION OF MESENCHYMAL STEM CELLS INTO CARTILAGE CELLS Industry-Academic Cooperation Foundation, Yonsei University (KR) 2013-07-24 EP claimed
US-20040220253-A1 Synthesis of pyrrole amides PFIZER INC. 2004-11-04 US claimed
EP-1339681-A1 SYNTHESIS OF FUSED PYRROLECARBOXAMIDES Pfizer Products Inc. (US) 2003-09-03 EP claimed
US-20020151718-A1 Synthesis of pyrrole amides PFIZER INC. 2002-10-17 US claimed
WO-2002046155-A1 SYNTHESIS OF FUSED PYRROLECARBOXAMIDES PFIZER PRODUCTS INC. (US) 2002-06-13 WO claimed
US-20230339882-A1 SHP2 INHIBITOR AND COMPOSITION AND APPLICATION THEREOF BETTA PHARMACEUTICALS CO., LTD. (CN) 2023-10-26 US disclosed
EP-4186896-A1 SHP2 INHIBITOR AND COMPOSITION AND APPLICATION THEREOF Betta Pharmaceuticals Co., Ltd (CN) 2023-05-31 EP disclosed
US-20230159521-A1 1H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 US disclosed
US-20230159521-A1 1H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 US disclosed
WO-2021203025-A1 1 H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1 H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1 -ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1 -ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-10-07 WO disclosed
WO-2009060197-A1 IMIDAZOPYRIDAZINES FOR USE AS PROTEIN KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2009-05-14 WO disclosed
US-20040220253-A1 Synthesis of pyrrole amides PFIZER INC. 2004-11-04 US disclosed
EP-1339681-A1 SYNTHESIS OF FUSED PYRROLECARBOXAMIDES Pfizer Products Inc. (US) 2003-09-03 EP disclosed
US-20020151718-A1 Synthesis of pyrrole amides PFIZER INC. 2002-10-17 US disclosed
WO-2002046155-A1 SYNTHESIS OF FUSED PYRROLECARBOXAMIDES PFIZER PRODUCTS INC. (US) 2002-06-13 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 (6 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-20040220253-A1 Synthesis of pyrrole amides GABRA5, GABRA2, GABRA1 DGAT1 3684/4885CES2 1059/4885PARP10 2145/4885
US-20130236969-A1 Use of Compounds for Inducing Differentiation of Mesenchymal Stem Cells to Chondrocytes COL2A1, MYADM, COL1A1 DGAT1 1297/4885CES2 4815/4885PARP10 2508/4885
US-20020151718-A1 Synthesis of pyrrole amides GABRA5, GABRA2, GABRA1 DGAT1 3684/4885CES2 1059/4885PARP10 2145/4885
US-20150252003-A1 Use of a Compound for Inducing Differentiation of Mesenchymal Stem Cells into Cartilage Cells COL2A1, MYADM, COL1A1 DGAT1 1355/4885CES2 4785/4885PARP10 2403/4885
US-20230339882-A1 SHP2 INHIBITOR AND COMPOSITION AND APPLICATION THEREOF PTPRF, PTPRCAP, PTPRJ DGAT1 1427/4885CES2 4405/4885PARP10 4293/4885
US-20230159521-A1 1H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINE1, SERPINA3 DGAT1 2259/4885CES2 3382/4885PARP10 1682/4885

“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.