SCHEMBL7598306

SCHEMBL7598306

CC(C)c1ccc(C(=O)O)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
ACE2 Q9BYF1 4/20 0.56
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
SRD5A2 P31213 2/20 0.47
GRM1 Q13255 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TTR P02766 2/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
SPR P35270 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALOX15 P16050 1/20 0.43

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
SCHEMBL9185164 0.85 LMNA (0.56) TSHRACE2THRATHRBSRD5A2
SCHEMBL12583708 0.85 LMNA (0.56) TSHRACE2THRATHRBSRD5A2
SCHEMBL12125525 0.85 TSHR (0.59) TSHRACE2THRATHRBSRD5A2
SCHEMBL29038778 0.85 GLRA1 (0.42) TSHRACE2THRATHRBKMT2A
SCHEMBL24987703 0.85 MAPT (0.47) TSHRACE2THRATHRBKMT2A
Hydrochloric Acid SCHEMBL986198 0.84 LMNA (0.55) TSHRACE2THRATHRBSRD5A2
Hydrochloric Acid SCHEMBL986200 0.84 LMNA (0.55) TSHRACE2THRATHRBSRD5A2
Hydrochloric Acid SCHEMBL6557925 0.84 LMNA (0.55) TSHRACE2THRATHRBSRD5A2
SCHEMBL10105619 0.83 PARP1 (0.44) ACE2THRATHRBALDH1A1SMN1; SMN2
SCHEMBL10519043 0.83 PDK1 (0.40) TSHRACE2THRATHRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002504529-A 2002-02-12 JP claimed
EP-1060160-A2 DISUBSTITUTED LAVENDUSTIN A ANALOGS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE ANALOGS THE UNITED STATES GOVERNMENT as represented by THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2000-12-20 EP claimed
WO-1999043636-A2 DISUBSTITUTED LAVENDUSTIN A ANALOGS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE ANALOGS THE UNITED STATES OF AMERICA AS REPRESENTED BY THESECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-09-02 WO claimed
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 US disclosed
WO-2022121844-A1 DIHYDROPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海维申医药有限公司 2022-06-16 WO disclosed
WO-2022084741-A1 CFTR MODULATOR COMPOUNDS, COMPOSITIONS, AND USES THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-04-28 WO disclosed
US-20210094927-A1 ISOTOPICALLY-STABILIZED TETRONIMIDE COMPOUNDS MIDWESTERN UNIVERSITY 2021-04-01 US disclosed
US-10961211-B2 Isotopically-stabilized tetronimide compounds MIDWESTERN UNIVERSITY (US) 2021-03-30 US disclosed
US-20200262804-A1 Isotopically-Stabilized Tetronimide Compounds MIDWESTERN UNIVERSITY 2020-08-20 US disclosed
US-20150316850-A1 RESIST UNDERLAYER FILM-FORMING COMPOSITION COMPRISING CARBONYL-CONTAINING POLYHYDROXY AROMATIC RING NOVOLAC RESIN NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-11-05 US disclosed
US-8859768-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-14 US disclosed
US-20120142732-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
US-7888504-B2 Glucokinase activators and methods of using same BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-15 US disclosed
US-20080021052-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2008-01-24 US disclosed
US-5866610-A Substituted benzoylguanidines, process for their preparation, their use as a pharmaceutical as inhibitors of the cellular NA+/H+ exchange or as a diagnostic, and pharmaceutical containing them HOECHST AKTIENGESELLSCHAFT (DE) 1999-02-02 US disclosed
EP-0612723-B1 Substituted benzoylguanidines, process for their preparation, their use as medicament, as inhibitor of the cellular Na+/H+ exchange or as diagnostic agent and medicament containing them HOECHST AG (DE) 1997-08-27 EP disclosed
EP-0612723-A1 Substituted benzoylguanidines, process for their preparation, their use as medicament, as inhibitor of the cellular Na+/H+ exchange or as diagnostic agent and medicament containing them HOECHST AKTIENGESELLSCHAFT (DE) 1994-08-31 EP 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-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators PDE4A, PDE4B, PDE5A TSHR 2647/4885ACE2 1604/4885THRA 3445/4885
US-10961211-B2 Isotopically-stabilized tetronimide compounds ASPH, BACE1, DNPEP TSHR 846/4885ACE2 21/4885THRA 239/4885
US-20200262804-A1 Isotopically-Stabilized Tetronimide Compounds ASPH, BACE1, DNPEP TSHR 846/4885ACE2 21/4885THRA 239/4885
US-20120142732-A1 HETEROARYLS AND USES THEREOF PIK3R4, PIK3C2B, PIK3R1 TSHR 4109/4885ACE2 3417/4885THRA 3607/4885
US-20210094927-A1 ISOTOPICALLY-STABILIZED TETRONIMIDE COMPOUNDS ASPH, BACE1, DNPEP TSHR 846/4885ACE2 21/4885THRA 239/4885
US-20080021052-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, NR4A3 TSHR 717/4885ACE2 3843/4885THRA 1535/4885

“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.