SCHEMBL6512069

SCHEMBL6512069

N[C@H](Cc1cc(Cl)c(Oc2ccc3[nH]cc(S(=O)(=O)c4ccc(Cl)cc4)c3c2)c(Cl)c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 3/20 0.47
HTT P42858 3/20 0.47
POLB P06746 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
LTA4H P09960 1/20 0.43
PLA2G2A P14555 1/20 0.43
THRB P10828 8/20 0.40
THRA P10827 6/20 0.40
LMNA P02545 5/20 0.40
PCNA P12004 2/20 0.40
TSHR P16473 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CYP2D6 P10635 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40

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
SCHEMBL6515418 1.00 SMN1; SMN2 (0.47) SMN1; SMN2MAPTHTTPOLBTDP1
SCHEMBL6517198 0.94 KMT2A (0.48) SMN1; SMN2MAPTHTTPOLBTDP1
SCHEMBL6517267 0.94 KMT2A (0.48) SMN1; SMN2MAPTHTTPOLBTDP1
SCHEMBL6515174 0.93 MAPT (0.51) SMN1; SMN2MAPTHTTPOLBTDP1
SCHEMBL6517073 0.93 MAPT (0.53) SMN1; SMN2MAPTHTTPOLBTDP1
SCHEMBL6513935 0.93 MAPT (0.51) SMN1; SMN2MAPTHTTPOLBTDP1
SCHEMBL6513902 0.93 LMNA (0.46) SMN1; SMN2MAPTHTTPOLBTDP1
SCHEMBL6514189 0.93 LMNA (0.46) SMN1; SMN2MAPTHTTPOLBTDP1
SCHEMBL6515941 0.93 MAPT (0.53) SMN1; SMN2MAPTHTTPOLBTDP1
SCHEMBL6513027 0.92 SMN1; SMN2 (0.48) SMN1; SMN2MAPTHTTPOLBTDP1

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 4749/4885MAPT 839/4885HTT 399/4885
US-20050032874-A1 Anticholesterol agents; arteriosclerosis HMGCR, CYP46A1, EBP SMN1; SMN2 4875/4885MAPT 3453/4885HTT 1524/4885

“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.