SCHEMBL5116889

SCHEMBL5116889

CCC(=O)Nc1cc(F)cc(COc2c(Br)cc(C(=O)NCC(=O)O)cc2Br)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SENP5 Q96HI0 1/20 0.39
SENP2 Q9HC62 1/20 0.39
SENP1 Q9P0U3 1/20 0.39
THRB P10828 6/20 0.39
THRA P10827 5/20 0.39
ALDH1A1 P00352 3/20 0.38
DHODH Q02127 2/20 0.37
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 2/20 0.35
HPGD P15428 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 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
SCHEMBL5111320 0.90 ALDH1A1 (0.39) SMN1; SMN2MAPTMEN1KMT2ASENP5
SCHEMBL5116634 0.90 BRD4 (0.39) SMN1; SMN2MAPTMEN1KMT2ASENP5
SCHEMBL5118417 0.89 SMN1; SMN2 (0.41) SMN1; SMN2MAPTMEN1KMT2ASENP5
SCHEMBL5118202 0.89 ALDH1A1 (0.41) SMN1; SMN2MAPTMEN1KMT2ASENP5
SCHEMBL4927337 0.88 THRB (0.49) SMN1; SMN2MAPTMEN1KMT2ATHRB
SCHEMBL4932258 0.87 SMN1; SMN2 (0.43) SMN1; SMN2MAPTMEN1KMT2ATHRB
SCHEMBL5106633 0.87 RHOC (0.43) SMN1; SMN2MEN1KMT2ASENP5SENP2
SCHEMBL5111314 0.87 SENP5 (0.40) SMN1; SMN2MAPTMEN1KMT2ASENP5
SCHEMBL4922947 0.87 THRB (0.41) SMN1; SMN2MAPTMEN1KMT2ATHRB
SCHEMBL4351576 0.86 THRA (0.53) SMN1; SMN2MEN1KMT2ASENP5SENP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080004251-A1 Novel Pharmaceutical Compositions Comprising Agonists of the Thyroid Receptor KARO BIO AB (SE) 2008-01-03 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 (1 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-20080004251-A1 Novel Pharmaceutical Compositions Comprising Agonists of the Thyroid Receptor TSHR, TRHR, THRA SMN1; SMN2 4587/4885MAPT 4134/4885MEN1 806/4885

“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.