SCHEMBL4862702

SCHEMBL4862702

O=S(=O)(c1ccc(Br)cc1)c1cc2ccccc2[nH]1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.56
AKR1B1 P15121 1/20 0.50
CCKAR P32238 2/20 0.45
CCKBR P32239 2/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA9 Q16790 1/20 0.44
CNR1 P21554 6/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
IDO1 P14902 1/20 0.40
PTGS2 P35354 2/20 0.40
HTR6 P50406 1/20 0.39
ESR1 P03372 1/20 0.39

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
SCHEMBL31561597 0.86 CA2 (0.62) CA2AKR1B1CA12CA1CA9
SCHEMBL3237494 0.86 CA2 (0.62) CA2AKR1B1CA12CA1CA9
SCHEMBL30684143 0.84 CA2 (0.56) CA2AKR1B1CA12CA1CA9
SCHEMBL8960439 0.84 CA2 (0.56) CA2AKR1B1CCKARCA12CA1
SCHEMBL670176 0.84 CA2 (0.56) CA2AKR1B1CA12CA1CA9
SCHEMBL7407839 0.83 CNR1 (0.54) CA2AKR1B1CCKARCCKBRCNR1
SCHEMBL28568569 0.82 CA2 (0.71) CA2AKR1B1CA12CA1CA9
SCHEMBL29520525 0.82 CA2 (0.57) CA2AKR1B1CA12CA1CA9
SCHEMBL13542579 0.80 CA2 (0.51) CA2AKR1B1CA12CA1CA9
SCHEMBL14502491 0.78 CA2 (0.53) CA2AKR1B1CCKARCA12CA1

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 CA2 1763/4885AKR1B1 94/4885CCKAR 279/4885
US-20080090860-A1 Retinoid x receptor modulators RXRA, RXRG, RXRB CA2 1637/4885AKR1B1 85/4885CCKAR 260/4885

“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.