SCHEMBL6748087

SCHEMBL6748087

CC(=O)OCOC(=O)CSCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
ALDH1A1 P00352 1/20 0.53
RAB9A P51151 5/20 0.49
NPC1 O15118 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 2/20 0.46
HTT P42858 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
GAA P10253 1/20 0.46
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
THRB P10828 1/20 0.41
AR P10275 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
SCHEMBL3256326 0.83 NPC1 (0.62) L3MBTL1ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL11852932 0.81 ALDH1A1 (0.61) L3MBTL1ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL11845698 0.80 L3MBTL1 (0.53) L3MBTL1ALDH1A1RAB9ANPC1SMN1; SMN2
E1501 SCHEMBL28531202 0.79 ALDH1A1 (0.79) L3MBTL1ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL560042 0.79 MAPK1 (0.59) L3MBTL1ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL17928599 0.79 ALDH1A1 (0.63) L3MBTL1ALDH1A1SMN1; SMN2TDP1THRB
SCHEMBL11857838 0.79 L3MBTL1 (0.59) L3MBTL1ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL941161 0.78 CYP1A2 (0.56) L3MBTL1ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL31518753 0.78 CYP2C19 (0.56) L3MBTL1ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL19213900 0.78 ALDH1A1 (0.42) ALDH1A1RAB9ASMN1; SMN2CYP2D6GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6720445-B2 PHENYLPROPIOLOYLOXYMETHYL ACETATE, FOR EXAMPLE; TREATING CANCER, HEMOLOGICAL DISORDERS AND INHERITED METABOLIC DISORDERS; INHIBITORS OF HISTONE DEACETYLASE BEACON LABORATORIES, INC. 2004-04-13 US disclosed
US-6699902-B2 ANTICANCER AGENTS BEACON LABORATORIES, INC. 2004-03-02 US disclosed
US-20020161045-A1 NOVEL ACETYLOXYMETHYL ESTERS AND METHODS FOR USING THE SAME ERRANT GENE THERAPEUTICS, LLC 2002-10-31 US disclosed
US-20020119996-A1 Novel acetyloxymethyl esters and methods for using the same BEACON LABORATORIES, A DELAWARE CORPORATION 2002-08-29 US disclosed
EP-1216984-A1 Novel acetyloxymethyl esters and methods for using same Beacon Laboratories, Inc. (US) 2002-06-26 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 (2 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-20020119996-A1 Novel acetyloxymethyl esters and methods for using the same AADAC, ACAT1, EP300 L3MBTL1 494/4885ALDH1A1 211/4885RAB9A 2727/4885
US-20020161045-A1 NOVEL ACETYLOXYMETHYL ESTERS AND METHODS FOR USING THE SAME AADAC, ACAT1, EP300 L3MBTL1 494/4885ALDH1A1 211/4885RAB9A 2727/4885

“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.