SCHEMBL6512231

SCHEMBL6512231

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
HTT P42858 3/20 0.49
MAPT P10636 2/20 0.49
POLB P06746 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
THRA P10827 10/20 0.44
THRB P10828 10/20 0.44
CPT1A P50416 1/20 0.44
CPT1B Q92523 1/20 0.44
DUSP3 P51452 1/20 0.42
PTPN5 P54829 1/20 0.42
PTPN11 Q06124 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 2/20 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
SCHEMBL6515739 0.95 SMN1; SMN2 (0.52) SMN1; SMN2HTTMAPTPOLBTDP1
SCHEMBL6524694 0.94 MAPT (0.46) SMN1; SMN2HTTMAPTPOLBTDP1
SCHEMBL6513939 0.94 MAPT (0.51) SMN1; SMN2HTTMAPTPOLBTDP1
SCHEMBL6510883 0.93 SMN1; SMN2 (0.48) SMN1; SMN2HTTMAPTPOLBTDP1
SCHEMBL6515118 0.91 SMN1; SMN2 (0.48) SMN1; SMN2HTTMAPTPOLBTDP1
SCHEMBL6520450 0.90 MAPT (0.58) SMN1; SMN2HTTMAPTPOLBTDP1
SCHEMBL6511313 0.89 THRA (0.48) SMN1; SMN2HTTMAPTPOLBTDP1
SCHEMBL6511406 0.89 THRA (0.57) SMN1; SMN2HTTMAPTPOLBTDP1
SCHEMBL6524629 0.88 MAPT (0.55) SMN1; SMN2HTTMAPTPOLBTDP1
SCHEMBL6511181 0.88 MAPT (0.60) 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.