SCHEMBL4774245

SCHEMBL4774245

Cc1ccc(CCCS(=O)(=O)O)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 1/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
NFKB1 P19838 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
THPO P40225 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
HIF1A Q16665 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL23795741 0.81 SMN1; SMN2 (0.38) TSHRSMN1; SMN2GAAKMT2AKDM4E
SCHEMBL769729 0.80 NFKB1 (0.37) TSHRSMN1; SMN2GAAMEN1LMNA
SCHEMBL769408 0.80 HTR2A (0.39) TSHRSMN1; SMN2MEN1LMNAKMT2A
SCHEMBL770166 0.80 ALDH1A1 (0.44) GAAMEN1KMT2AKDM4EALDH1A1
SCHEMBL10144466 0.80 SMN1; SMN2 (0.51) TSHRSMN1; SMN2GAAMEN1LMNA
SCHEMBL27611503 0.79 SMN1; SMN2 (0.40) TSHRSMN1; SMN2GAAKMT2AKDM4E
SCHEMBL23795745 0.78 SMN1; SMN2 (0.39) TSHRSMN1; SMN2GAALMNAKMT2A
SCHEMBL958610 0.77 SMN1; SMN2 (0.50) TSHRSMN1; SMN2GAAMEN1LMNA
SCHEMBL23654223 0.77 ALDH1A1 (0.48) MEN1KMT2AALDH1A1CYP1A2CYP3A4
Fluoride SCHEMBL27593326 0.76 SMN1; SMN2 (0.38) TSHRSMN1; SMN2GAAMEN1LMNA

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
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 TSHR 1481/4885SMN1; SMN2 27/4885GAA 4736/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 TSHR 962/4885SMN1; SMN2 37/4885GAA 4801/4885

“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.