SCHEMBL3548262

SCHEMBL3548262

O=C(O[C@@H](C(=O)O)[C@@H](OC(=O)c1ccccc1Cl)C(=O)O)c1ccccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.58
TSHR P16473 1/20 0.58
ALDH1A1 P00352 3/20 0.53
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
MAPT P10636 2/20 0.50
POLB P06746 2/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
GAA P10253 2/20 0.49
HPGD P15428 2/20 0.49
PKM P14618 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 1/20 0.47
HTR1E P28566 1/20 0.47
S1PR3 Q99500 1/20 0.47

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
SCHEMBL3545045 1.00 TP53 (0.58) TP53TSHRALDH1A1RAB9ANPC1
Water SCHEMBL8461649 0.98 TP53 (0.56) TP53TSHRALDH1A1RAB9ANPC1
Water SCHEMBL8461660 0.98 TP53 (0.56) TP53TSHRALDH1A1RAB9ANPC1
SCHEMBL8459069 0.92 TP53 (0.50) TP53TSHRALDH1A1RAB9ANPC1
Water SCHEMBL8467116 0.89 TP53 (0.46) TP53TSHRALDH1A1RAB9ANPC1
SCHEMBL11229093 0.82 ALDH1A1 (0.51) TSHRALDH1A1RAB9ANPC1MAPT
SCHEMBL344758 0.79 USP2 (0.55) ALDH1A1RAB9ANPC1MAPTPOLB
SCHEMBL21866481 0.79 CES2 (0.52) ALDH1A1RAB9ANPC1MAPTPOLB
SCHEMBL18668782 0.78 MAPT (0.48) TP53ALDH1A1RAB9ANPC1MAPT
SCHEMBL3551614 0.78 TP53 (0.58) TP53TSHRALDH1A1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803962-B2 Process for the resolution of racemic verapamil COSMA S.P.A. (IT) 2010-09-28 US disclosed
EP-2014644-A1 A process for the resolution of racemic verapamil Cosma S.p.A. (IT) 2009-01-14 EP disclosed
US-20080306296-A1 Process for the resolution of racemic verapamil COSMA S.P.A 2008-12-11 US disclosed
EP-0600714-B1 Process for producing O,O'-diacyltartaric anhydride and process for producing O,O'-diacyltartaric acid TORAY INDUSTRIES (JP) 1999-08-18 EP disclosed
EP-0924188-A1 Production of 0,0'-diacyltartaric acid crystals TORAY INDUSTRIES, INC. (JP) 1999-06-23 EP disclosed
US-5451687-A Process for producing O,O'-diacyltartaric anhydride and process for producing O,O'-diacyltartaric acid TORAY INDUSTRIES, INC. (JP) 1995-09-19 US disclosed
EP-0600714-A1 Process for producing O,O'-diacyltartaric anhydride and process for producing O,O'-diacyltartaric acid TORAY INDUSTRIES, INC. (JP) 1994-06-08 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 (1 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-20080306296-A1 Process for the resolution of racemic verapamil BLVRB, RYR2, QDPR TP53 4441/4885TSHR 4728/4885ALDH1A1 1572/4885

“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.