SCHEMBL4860970

SCHEMBL4860970

CCc1c(C(=O)O)sc2cccc(I)c12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 8/20 0.45
MAPK1 P28482 2/20 0.45
STING1 Q86WV6 5/20 0.40
GPR35 Q9HC97 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BCL2 P10415 2/20 0.37
BCL2L1 Q07817 2/20 0.37
BAD Q92934 2/20 0.37
GPR17 Q13304 1/20 0.36
OGG1 O15527 1/20 0.35
TTR P02766 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
SCHEMBL9567940 0.80 MCL1 (0.49) MCL1MAPK1GPR35KDM4EALDH1A1
SCHEMBL17866243 0.79 MCL1 (0.43) MCL1MAPK1STING1GPR35KDM4E
SCHEMBL20937648 0.74 MCL1 (0.58) MCL1MAPK1KDM4EALDH1A1GLA
Hydrochloric Acid SCHEMBL8548770 0.72 HTR1A (0.45) MCL1MAPK1KDM4EALDH1A1HPGD
SCHEMBL14894804 0.72 GPR35 (0.46) MCL1MAPK1STING1GPR35BCL2L1
SCHEMBL6614808 0.71 MCL1 (0.45) MCL1MAPK1STING1GPR35KDM4E
SCHEMBL8545089 0.69 DRD2 (0.46) MAPK1GAATSHRL3MBTL1
SCHEMBL1179867 0.68 CLCN2 (0.44) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL28456462 0.68 GPR35 (0.39) GPR35KDM4EALDH1A1HPGDTSHR
SCHEMBL3911188 0.67 MAPK1 (0.49) MCL1MAPK1STING1KDM4EALDH1A1

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 6 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-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 MCL1 4289/4885MAPK1 3920/4885STING1 4751/4885
US-20080090860-A1 Retinoid x receptor modulators RXRA, RXRG, RXRB MCL1 4204/4885MAPK1 3711/4885STING1 4764/4885

“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.