SCHEMBL6519217

SCHEMBL6519217

Cc1cc([C@H](N)C(=O)O)cc(C)c1Oc1ccc2[nH]cc(S(=O)(=O)c3ccc(F)cc3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.51
HTT P42858 3/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 3/20 0.49
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
TP53 P04637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
THRA P10827 5/20 0.39
THRB P10828 5/20 0.39
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ADAM17 P78536 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36

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
SCHEMBL6512209 1.00 SMN1; SMN2 (0.51) SMN1; SMN2HTTLMNAMAPTKDM4E
SCHEMBL6519222 1.00 SMN1; SMN2 (0.51) SMN1; SMN2HTTLMNAMAPTKDM4E
SCHEMBL6513233 0.93 MAPT (0.59) SMN1; SMN2HTTLMNAMAPTKDM4E
SCHEMBL6519245 0.93 MAPT (0.59) SMN1; SMN2HTTLMNAMAPTKDM4E
SCHEMBL6514303 0.92 MAPT (0.58) SMN1; SMN2HTTLMNAMAPTKDM4E
SCHEMBL6512366 0.92 MAPT (0.58) SMN1; SMN2HTTLMNAMAPTKDM4E
SCHEMBL6515302 0.92 MAPT (0.49) SMN1; SMN2HTTLMNAMAPTKDM4E
SCHEMBL6514507 0.92 MAPT (0.49) SMN1; SMN2HTTLMNAMAPTKDM4E
SCHEMBL6514502 0.92 MAPT (0.49) SMN1; SMN2HTTLMNAMAPTKDM4E
SCHEMBL6516634 0.91 MAPT (0.49) SMN1; SMN2HTTLMNAMAPTKDM4E

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 399/4885LMNA 3113/4885
US-20050032874-A1 Anticholesterol agents; arteriosclerosis HMGCR, CYP46A1, EBP SMN1; SMN2 4875/4885HTT 1524/4885LMNA 719/4885

“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.