SCHEMBL1858577

SCHEMBL1858577

CCOC(=O)C(CCc1ccccc1)OS(=O)(=O)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
ACE P12821 3/20 0.44
MAPT P10636 2/20 0.42
TAAR1 Q96RJ0 2/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
BLM P54132 1/20 0.40
MMP8 P22894 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PIN1 Q13526 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
SCHEMBL5674353 1.00 SMN1; SMN2 (0.46) SMN1; SMN2ACEMAPTTAAR1THRB
SCHEMBL9773201 1.00 SMN1; SMN2 (0.46) SMN1; SMN2ACEMAPTTAAR1THRB
SCHEMBL10957115 0.90 KMT2A (0.39) SMN1; SMN2ACEMAPTHTTHSD17B10
SCHEMBL7722450 0.89 SMN1; SMN2 (0.48) SMN1; SMN2ACEMAPTMMP8PPARG
SCHEMBL20676404 0.89 ACE (0.37) SMN1; SMN2ACEMAPTHTTHSD17B10
SCHEMBL7375987 0.88 BLM (0.41) BLMPPARGPPARAL3MBTL1
SCHEMBL5012826 0.88 BLM (0.41) BLMPPARGPPARAL3MBTL1
SCHEMBL8142297 0.88 MEN1 (0.43) SMN1; SMN2BLMPPARGPPARA
SCHEMBL7344531 0.88 BLM (0.41) BLMPPARGPPARAL3MBTL1
SCHEMBL7728941 0.88 MEN1 (0.43) SMN1; SMN2BLMPPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11261166-B2 Lipophilic macrocyclic ligands, complexes thereof, and uses of same GUERBET (FR) 2022-03-01 US disclosed
CN-109438449-B Synthesis method of cilazapril containing hexahydropyridazine acid structure 厦门医学院 2020-08-11 CN disclosed
US-20200231554-A1 LIPOPHILIC MACROCYCLIC LIGANDS, COMPLEXES THEREOF, AND USES OF SAME GUERBET (FR) 2020-07-23 US disclosed
US-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2011-05-05 US disclosed
WO-2005009972-A2 PROCESS FOR PREPARATION OF BENAZEPRIL RANBAXY LABORATORIES LIMITED (IN) 2005-02-03 WO disclosed
US-5231084-A ACE inhibitor HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-27 US disclosed
US-5043346-A Amino acid esters, pharmaceuticals containing them, and the use thereof in learning disorders HOECHST AKTIENGESELLSCHAFT (DE) 1991-08-27 US disclosed
US-4857520-A Fused azepinone and azocinone derivatives, processes for their preparation, agents containing them and their use, and intermediates in their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-15 US disclosed
US-4831051-A CALCIUM ANTAGONIST; ANTIARRHYTHMIA, HYPOTENSIVE AND CARDIOTONIC AGENTS; VASODILATION DELANDE S.A. (FR) 1989-05-16 US disclosed
US-4801721-A Stereospecific synthesis of carboxyalkyl peptides RYAN JAMES W (US) 1989-01-31 US disclosed
US-4732896-A ANTAGONIST TO CALCIUM DELALANDE S.A. (FR) 1988-03-22 US disclosed
EP-0186431-B1 ANTI-HYPERTENSIVE OCTAHYDRO-6-AZAINDOLE DIPEPTIDE DERIVATIVES Pfizer Limited (GB) 1988-02-03 EP disclosed
US-4711882-A INHIBITOR OF ANGIOTENSIN CONVERTING ENZYME; HYPOTENSIVE AND CARDIOTONIC AGENTS PFIZER INC. (US) 1987-12-08 US disclosed
EP-0186431-A1 Anti-hypertensive octahydro-6-azaindole dipeptide derivatives Pfizer Limited (GB) 1986-07-02 EP disclosed
US-4536500-A ANTAGONISTIC ACTIVITY TO CALCIUM DELALANDE S.A. (FR) 1985-08-20 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 (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-11261166-B2 Lipophilic macrocyclic ligands, complexes thereof, and uses of same LDLR, NPC1L1, LRP6 SMN1; SMN2 4820/4885ACE 2969/4885MAPT 3931/4885
US-20200231554-A1 LIPOPHILIC MACROCYCLIC LIGANDS, COMPLEXES THEREOF, AND USES OF SAME LDLR, NPC1L1, LRP6 SMN1; SMN2 4820/4885ACE 2969/4885MAPT 3931/4885
US-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AKR1C3, TPD52L2, HCCS SMN1; SMN2 2869/4885ACE 3665/4885MAPT 4342/4885

“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.