SCHEMBL4856067

SCHEMBL4856067

CC(=O)c1cc2ccsc2cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.45
HTR3A P46098 1/20 0.45
ALDH1A1 P00352 3/20 0.39
CTNNB1 P35222 2/20 0.39
WNT3A P56704 2/20 0.39
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
NAMPT P43490 1/20 0.36
GPR35 Q9HC97 1/20 0.36
CYP2A6 P11509 1/20 0.36
GRM4 Q14833 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HTR2C P28335 2/20 0.35
HTR2A P28223 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35

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
SCHEMBL31230400 0.84 CHRNA7 (0.46) CHRNA7HTR3AALDH1A1CTNNB1WNT3A
SCHEMBL843121 0.84 CHRNA7 (0.46) CHRNA7HTR3AALDH1A1CTNNB1WNT3A
SCHEMBL1207766 0.83 CHRNA7 (0.48) CHRNA7HTR3ACTNNB1WNT3ANAMPT
SCHEMBL844263 0.82 LCK (0.51) CHRNA7HTR3AALDH1A1KDM4EMEN1
Lithium Ion SCHEMBL21632921 0.81 CHRNA7 (0.44) CHRNA7HTR3ACTNNB1WNT3ANAMPT
Lithium Ion SCHEMBL31230337 0.81 CHRNA7 (0.44) CHRNA7HTR3ACTNNB1WNT3ANAMPT
Hydrochloric Acid SCHEMBL27687894 0.81 CHRNA7 (0.47) CHRNA7HTR3ACTNNB1WNT3ANAMPT
SCHEMBL659466 0.76 GRM4 (0.40) CHRNA7HTR3AALDH1A1CTNNB1WNT3A
SCHEMBL12333124 0.74 TSHR (0.50) ALDH1A1KDM4EMEN1TP53RAB9A
SCHEMBL8834576 0.72 CSNK2A2 (0.39) CHRNA7HTR3ACTNNB1WNT3AGPR35

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-20080090860-A1 Retinoid x receptor modulators GARDINIER KEVIN M 2008-04-17 US disclosed
US-20080090860-A1 Retinoid x receptor modulators GARDINIER KEVIN M 2008-04-17 US disclosed
US-20080090860-A1 Retinoid x receptor modulators GARDINIER KEVIN M 2008-04-17 US disclosed
US-7348359-B2 Retinoid X receptor modulators ELI LILLY AND COMPANY (US) 2008-03-25 US disclosed
US-7348359-B2 Retinoid X receptor modulators ELI LILLY AND COMPANY (US) 2008-03-25 US disclosed
US-7348359-B2 Retinoid X receptor modulators ELI LILLY AND COMPANY (US) 2008-03-25 US disclosed
EP-1373240-B1 RETINOID X RECEPTOR MODULATORS LILLY CO ELI (US) 2005-06-15 EP disclosed
US-20040167160-A1 Retinoid x receptor modulators LIGAND PHARMACEUTICALS INCORPORATED 2004-08-26 US disclosed
EP-1373240-A2 RETINOID X RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-01-02 EP disclosed
WO-2002071827-A2 RETINOID X RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2002-09-19 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 (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-20040167160-A1 Retinoid x receptor modulators RXRA, RXRG, RXRB CHRNA7 686/4885HTR3A 1192/4885ALDH1A1 322/4885
US-20080090860-A1 Retinoid x receptor modulators RXRA, RXRG, RXRB CHRNA7 761/4885HTR3A 1030/4885ALDH1A1 336/4885

“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.