SCHEMBL6516023

SCHEMBL6516023

N[C@@H](C(=O)O)c1cc(C(F)(F)F)c(Oc2ccc3[nH]cc(S(=O)(=O)c4ccc(C(F)(F)F)cc4)c3c2)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 7/20 0.46
THRB P10828 7/20 0.46
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.38
HTT P42858 3/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 2/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL6515697 1.00 THRA (0.46) THRATHRBMAPTSMN1; SMN2HTT
SCHEMBL6516238 0.93 SMN1; SMN2 (0.46) THRATHRBMAPTSMN1; SMN2HTT
SCHEMBL6516741 0.93 SMN1; SMN2 (0.46) THRATHRBMAPTSMN1; SMN2HTT
SCHEMBL6512134 0.93 THRA (0.47) THRATHRBMAPTSMN1; SMN2HTT
SCHEMBL6514042 0.93 THRA (0.47) THRATHRBMAPTSMN1; SMN2HTT
SCHEMBL6511427 0.92 THRA (0.45) THRATHRBMAPTSMN1; SMN2HTT
SCHEMBL6516709 0.92 THRA (0.45) THRATHRBMAPTSMN1; SMN2HTT
SCHEMBL6514225 0.92 MAPT (0.53) THRATHRBMAPTSMN1; SMN2HTT
SCHEMBL6512430 0.92 MAPT (0.51) THRATHRBMAPTSMN1; SMN2HTT
SCHEMBL6521735 0.92 MAPT (0.53) THRATHRBMAPTSMN1; SMN2HTT

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 THRA 2460/4885THRB 1772/4885MAPT 839/4885
US-20050032874-A1 Anticholesterol agents; arteriosclerosis HMGCR, CYP46A1, EBP THRA 1917/4885THRB 1835/4885MAPT 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.