SCHEMBL17705232

SCHEMBL17705232

COc1cc(CCC(=O)Nc2ccc(S(=O)(=O)C3CC3)c(CN(C)C)c2)cc(OBO)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.41
MAPT P10636 5/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.38
HSD17B1 P14061 1/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ROCK2 O75116 1/20 0.34
HSD17B10 Q99714 1/20 0.34
BRD4 O60885 1/20 0.34

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
SCHEMBL17705212 0.89 RAB9A (0.40) LMNAMAPTRAB9ASMN1; SMN2TSHR
SCHEMBL17705231 0.89 LMNA (0.44) LMNAMAPTRAB9ASMN1; SMN2TSHR
SCHEMBL17705221 0.87 BRD4 (0.45) LMNAMAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL17705225 0.85 MEN1 (0.34) LMNAMAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL17705268 0.84 LMNA (0.33) LMNAMAPTRAB9ASMN1; SMN2TSHR
SCHEMBL18892530 0.81 LMNA (0.42) LMNAMAPTRAB9ASMN1; SMN2TSHR
SCHEMBL17705260 0.80 BRD4 (0.34) LMNAMAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL17705216 0.80 SMN1; SMN2 (0.42) LMNAMAPTRAB9ASMN1; SMN2TSHR
SCHEMBL17705215 0.79 TP53 (0.38) LMNAMAPTRAB9ASMN1; SMN2TSHR
SCHEMBL17705210 0.78 GAA (0.42) LMNAMAPTRAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9657006-B2 Macrocyclic factor VIIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-23 US disclosed
US-20160115159-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-04-28 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-20160115159-A1 MACROCYCLIC FACTOR VIIA INHIBITORS F7, F12, F5 LMNA 963/4885MAPT 4625/4885RAB9A 2322/4885

“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.