SCHEMBL6514280

SCHEMBL6514280

Cc1cc(OCC(=O)O)cc(C)c1Oc1ccc2[nH]cc(S(=O)(=O)c3ccc(Cl)cc3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.53
HTT P42858 3/20 0.53
MAPT P10636 2/20 0.53
POLB P06746 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
KDM4E B2RXH2 2/20 0.45
THRA P10827 3/20 0.45
THRB P10828 3/20 0.45
DUSP3 P51452 1/20 0.44
PTPN5 P54829 1/20 0.44
PTPN11 Q06124 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
RXFP1 Q9HBX9 2/20 0.43
LMNA P02545 2/20 0.42
TP53 P04637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MCL1 Q07820 1/20 0.41
PSEN1 P49768 1/20 0.39
PSEN2 P49810 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
SCHEMBL6513228 0.93 MAPT (0.59) SMN1; SMN2HTTMAPTPOLBTDP1
SCHEMBL6511488 0.92 MAPT (0.58) SMN1; SMN2HTTMAPTPOLBTDP1
SCHEMBL6520252 0.92 MAPT (0.49) SMN1; SMN2HTTMAPTPOLBTDP1
SCHEMBL6514194 0.91 SMN1; SMN2 (0.53) SMN1; SMN2HTTMAPTPOLBTDP1
SCHEMBL6512399 0.91 SMN1; SMN2 (0.52) SMN1; SMN2HTTMAPTPOLBTDP1
SCHEMBL6515739 0.90 SMN1; SMN2 (0.52) SMN1; SMN2HTTMAPTPOLBTDP1
SCHEMBL6514409 0.89 SMN1; SMN2 (0.51) SMN1; SMN2HTTMAPTPOLBTDP1
SCHEMBL6514151 0.89 MAPT (0.47) SMN1; SMN2HTTMAPTPOLBTDP1
SCHEMBL6512813 0.88 MAPT (0.47) SMN1; SMN2HTTMAPTPOLBTDP1
SCHEMBL6513592 0.87 MAPT (0.57) SMN1; SMN2HTTMAPTPOLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050032874-A1 Anticholesterol agents; arteriosclerosis BAYER AKTIENGESELLSCHAFT (DE) 2005-02-10 US disclosed
US-6794406-B2 FOR THERAPY AND PROPHYLAXIS OF ARTERIOSCLEROSIS AND HYPERCHOLESTEROLAEMIA BAYER AKTIENGESELLSCHAFT (DE) 2004-09-21 US disclosed
US-20030078288-A1 Indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2003-04-24 US 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-20030078288-A1 Indole derivatives IDO1, IDO2, TPH2 SMN1; SMN2 4749/4885HTT 399/4885MAPT 839/4885
US-20050032874-A1 Anticholesterol agents; arteriosclerosis HMGCR, CYP46A1, EBP SMN1; SMN2 4875/4885HTT 1524/4885MAPT 3453/4885

“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.