SCHEMBL4029362

SCHEMBL4029362

COC(=O)C1=CCc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.44
HPGD P15428 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TSHR P16473 4/20 0.42
IDO1 P14902 1/20 0.41
PTPN1 P18031 1/20 0.41
GAA P10253 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPK1 P28482 2/20 0.40
ATM Q13315 2/20 0.40
GLA P06280 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
SLC6A3 Q01959 4/20 0.39
SLC6A4 P31645 3/20 0.39
NR4A2 P43354 1/20 0.39
LMNA P02545 3/20 0.39
FGFR1 P11362 1/20 0.38
SRC P12931 1/20 0.38

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
Hydrochloric Acid SCHEMBL27902606 0.98 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDL3MBTL1TSHR
SCHEMBL5230608 0.83 L3MBTL1 (0.49) ALDH1A1KDM4EHPGDL3MBTL1TSHR
SCHEMBL4018002 0.81 TSHR (0.49) ALDH1A1KDM4EHPGDL3MBTL1TSHR
SCHEMBL15573886 0.79 NOTUM (0.39) ALDH1A1SLC6A4SLC6A2
SCHEMBL30191469 0.79 NOTUM (0.39) ALDH1A1SLC6A4SLC6A2
SCHEMBL335207 0.79 SRD5A2 (0.43) ALDH1A1KDM4EHPGDL3MBTL1TSHR
SCHEMBL31147237 0.79 SRD5A2 (0.43) ALDH1A1KDM4EHPGDL3MBTL1TSHR
SCHEMBL11813906 0.79 HTR6 (0.37) ALDH1A1CA12CA9
SCHEMBL28031186 0.79 MAPT (0.44) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL26712446 0.78 NPC1 (0.45) ALDH1A1KDM4EHPGDTSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103193794-B A kind of isoindolone Bing isoxazole fused ring compound and synthetic method thereof CHINA PHARMACEUTICAL UNIVERSITY (CN) 2016-04-06 CN claimed
CN-103193794-A Isoindolone isoxazole fused ring compound and synthesis method thereof UNIV CHINA PHARMA 2013-07-10 CN claimed
US-5750767-A REACTING PROTECTED AMINO ACID WITH FLUOROFORMAMIDINIUM SALT RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1998-05-12 US claimed
US-20230321052-A1 ALPHA-AMINO ESTERS OF HYDROXYPROPYLTHIAZOLIDINE CARBOXAMIDE DERIVATIVE AND SALT FORM, CRYSTAL POLYMORPH THEREOF XOMA (US) LLC 2023-10-12 US disclosed
EP-4144351-A1 HYDROXYPROPYLTHIAZOLIDINE CARBOXAMIDE DERIVATIVES AS INHIBITORS OF THE PROSTAGLANDIN F RECEPTOR ObsEva S.A. (CH) 2023-03-08 EP disclosed
EP-4140988-A1 L-VALINATE OF HYDROXYPROPYLTHIAZOLIDINE CARBOXAMIDE DERIVATIVE AND SALT FORM, CRYSTAL POLYMORPH THEREOF Merck Serono S.A. (CH) 2023-03-01 EP disclosed
US-11524003-B2 Alpha-amino esters of hydroxypropylthiazolidine carboxamide derivative and salt form, crystal polymorph thereof ObsEva S.A. (CH) 2022-12-13 US disclosed
EP-3397622-B1 CO-ADMINISTRATION OF ALPHA-AMINO ESTER OF HYDROXYPROPYLTHIAZOLIDINE CARBOXAMIDE DERIVATIVE AND A TOCOLYTIC AGENT ObsEva SA (CH) 2022-03-09 EP disclosed
EP-3400217-B1 L-VALINATE OF HYDROXYPROPYLTHIAZOLIDINE CARBOXAMIDE DERIVATIVE, ITS SALT AND CRYSTAL FORM THEREOF MERCK SERONO SA (CH) 2022-03-09 EP disclosed
US-20210323935-A1 ALPHA-AMINO ESTERS OF HYDROXYPROPYLTHIAZOLIDINE CARBOXAMIDE DERIVATIVE AND SALT FORM, CRYSTAL POLYMORPH THEREOF MERCK SERONO S.A. (CH) 2021-10-21 US disclosed
EP-3060236-B1 POLYNUCLEOTIDE, POLYPEPTIDE WITH IMMUNOSUPPRESIVE ACTIVITY, EXPRESSION CASSETTE, EXPRESSION VECTOR, HOST CELL, PHARMACEUTICAL COMPOSITION AND METHODS FOR PRODUCING A POLYPETIDE WITH IMMUNOSUPPRESIVE ACTIVITY AND FOR PREVENTING OR TREATING CONDITIONS THAT REQUIRE IMMUNOSUPPRESION FUND BUTANTAN (BR) 2020-12-02 EP disclosed
WO-1996004297-A9 SYNTHESIS AND USE OF AMINO ACID FLUORIDES AS PEPTIDE COUPLING REAGENTS 1996-05-02 WO disclosed
WO-1996004297-A1 SYNTHESIS AND USE OF AMINO ACID FLUORIDES AS PEPTIDE COUPLING REAGENTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1996-02-15 WO disclosed
EP-0662078-A1 NEW REAGENTS FOR PEPTIDE COUPLINGS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1995-07-12 EP disclosed
EP-0496836-B1 SYNTHESIS AND USE OF AMINO ACID FLUORIDES AS PEPTIDE COUPLING REAGENTS RES CORP TECHNOLOGIES INC (US) 1995-06-14 EP disclosed
US-5360928-A Synthesis and use of amino acid fluorides as peptide coupling reagents RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1994-11-01 US disclosed
WO-1994007910-A1 NEW REAGENTS FOR PEPTIDE COUPLINGS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1994-04-14 WO disclosed
EP-0496836-A4 SYNTHESIS AND USE OF AMINO ACID FLUORIDES AS PEPTIDE COUPLING REAGENTS 1993-05-05 EP disclosed
EP-0496836-A1 SYNTHESIS AND USE OF AMINO ACID FLUORIDES AS PEPTIDE COUPLING REAGENTS. RES CORP TECHNOLOGIES INC (US) 1992-08-05 EP disclosed
WO-1991005564-A1 SYNTHESIS AND USE OF AMINO ACID FLUORIDES AS PEPTIDE COUPLING REAGENTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1991-05-02 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 (3 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-20230321052-A1 ALPHA-AMINO ESTERS OF HYDROXYPROPYLTHIAZOLIDINE CARBOXAMIDE DERIVATIVE AND SALT FORM, CRYSTAL POLYMORPH THEREOF PGF, PTGER1, PTGER4 ALDH1A1 365/4885KDM4E 3079/4885HPGD 197/4885
US-20210323935-A1 ALPHA-AMINO ESTERS OF HYDROXYPROPYLTHIAZOLIDINE CARBOXAMIDE DERIVATIVE AND SALT FORM, CRYSTAL POLYMORPH THEREOF PGF, PTGER1, PTGFR ALDH1A1 375/4885KDM4E 3623/4885HPGD 132/4885
US-11524003-B2 Alpha-amino esters of hydroxypropylthiazolidine carboxamide derivative and salt form, crystal polymorph thereof PGF, PTGER1, PTGER4 ALDH1A1 365/4885KDM4E 3079/4885HPGD 197/4885

“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.