SCHEMBL5117726

SCHEMBL5117726

CCOC(=O)c1ccc(CCSC(C)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAOA P21397 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.54
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA12 O43570 2/20 0.53
CA7 P43166 2/20 0.53
CA9 Q16790 2/20 0.53
CA14 Q9ULX7 2/20 0.53
ESR1 P03372 1/20 0.53
ESR2 Q92731 1/20 0.53
HPGD P15428 3/20 0.51
RECQL P46063 1/20 0.51
NOS3 P29474 2/20 0.47
NOS1 P29475 2/20 0.47
NOS2 P35228 2/20 0.47
HTT P42858 2/20 0.46
MAPT P10636 3/20 0.46

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
SCHEMBL5117533 0.91 LMNA (0.53) LMNACYP1A2CYP3A4MAOASMN1; SMN2
SCHEMBL7611304 0.84 CYP4A11 (0.58) LMNACYP1A2CYP3A4CA1CA2
SCHEMBL8302756 0.84 LMNA (0.59) LMNACYP1A2CYP3A4MAOASMN1; SMN2
SCHEMBL12199135 0.83 CA1 (0.68) LMNACYP1A2CYP3A4MAOASMN1; SMN2
SCHEMBL5734417 0.80 LMNA (0.68) LMNACYP1A2CYP3A4MAOASMN1; SMN2
SCHEMBL9844686 0.80 CYP1A2 (0.54) LMNACYP1A2CYP3A4MAOASMN1; SMN2
SCHEMBL571227 0.80 CA1 (0.63) LMNACYP1A2CYP3A4MAOASMN1; SMN2
Hydrochloric Acid SCHEMBL9261439 0.79 LMNA (0.66) LMNACYP1A2CYP3A4MAOASMN1; SMN2
SCHEMBL7482018 0.79 CA12 (0.58) LMNACYP1A2CYP3A4MAOASMN1; SMN2
SCHEMBL1244233 0.78 CA1 (0.61) LMNACYP1A2CYP3A4MAOASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10543282-B2 Targeted peptide conjugates MARKER GENE TECHNOLOGIES, INC (US) 2020-01-28 US disclosed
US-20180207287-A1 TARGETED PEPTIDE CONJUGATES MARKER GENE TECHNOLOGIES, INC. 2018-07-26 US disclosed
US-9925271-B2 Targeted pharmacological chaperones MARKER GENE TECHNOLOGIES, INC (US) 2018-03-27 US disclosed
US-20170216451-A1 TARGETED PHARMACOLOGICAL CHAPERONES MARKER GENE TECHNOLOGIES, INC. 2017-08-03 US disclosed
US-9610358-B2 Targeted pharmacological chaperones MARKER GENE TECHNOLOGIES, INC (US) 2017-04-04 US disclosed
US-20160228422-A1 TARGETED PHARMACOLOGICAL CHAPERONES MARKER GENE TECHNOLOGIES, INC. 2016-08-11 US disclosed
US-20080004274-A1 Novel biaromatic compounds that modulate PPAR type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-01-03 US disclosed
US-20080004274-A1 Novel biaromatic compounds that modulate PPAR type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-01-03 US disclosed
EP-1828124-A1 BIAROMATIC COMPOUNDS THAT MODULATE PPAR TYPE RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development (FR) 2007-09-05 EP disclosed
WO-2006063863-A1 BIAROMATIC COMPOUNDS THAT MODULATE PPAR TYPE RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-06-22 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 (5 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-20160228422-A1 TARGETED PHARMACOLOGICAL CHAPERONES HSPA5, HSPE1, HSP90B1 LMNA 1260/4885CYP1A2 3606/4885CYP3A4 4182/4885
US-20170216451-A1 TARGETED PHARMACOLOGICAL CHAPERONES HSPA5, HSPE1, HSP90B1 LMNA 1215/4885CYP1A2 3737/4885CYP3A4 4270/4885
US-20180207287-A1 TARGETED PEPTIDE CONJUGATES VCP, NLN, GOLT1B LMNA 1345/4885CYP1A2 4226/4885CYP3A4 4240/4885
US-20080004274-A1 Novel biaromatic compounds that modulate PPAR type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA LMNA 3355/4885CYP1A2 262/4885CYP3A4 878/4885
US-10543282-B2 Targeted peptide conjugates VCP, NLN, GOLT1B LMNA 1345/4885CYP1A2 4226/4885CYP3A4 4240/4885

“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.