SCHEMBL19710948

SCHEMBL19710948

CCCCCCCC(CCCCCCC)N1[C@H](C)CN(S(C)(=O)=O)C[C@@H]1C

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EBP Q15125 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ NR1I2 O75469 1/20 0.34
▸ FDPS P14324 4/20 0.33
▸ RECQL P46063 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.32
▸ CA2 P00918 4/20 0.31
▸ GUSB P08236 2/20 0.31
▸ MGAM O43451 1/20 0.31
▸ GPR84 Q9NQS5 3/20 0.30
▸ FFAR1 O14842 1/20 0.30

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
SCHEMBL19711201 0.78 EBP (0.39) EBPSIGMAR1FDPSGUSB
SCHEMBL20746967 0.77 EBP (0.37) EBPSIGMAR1FDPS
SCHEMBL21846657 0.74 EBP (0.35) EBPSIGMAR1FDPS
SCHEMBL21217054 0.73 TDP1 (0.43) FDPSTSHRTP53TDP1GPR84
SCHEMBL19124347 0.73 EBP (0.34) EBPSIGMAR1FDPSGUSB
SCHEMBL23969782 0.71 EBP (0.31) EBPSIGMAR1FDPS
SCHEMBL26676351 0.71 TP53 (0.33) EBPSIGMAR1FDPSRECQLGLA
SCHEMBL25013730 0.68 FDPS (0.36) EBPSIGMAR1FDPSRECQLGLA
SCHEMBL24599522 0.68 EBP (0.31) EBPSIGMAR1FDPS
SCHEMBL18531202 0.68 TDP1 (0.38) TSHRTP53TDP1

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-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 — — 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-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS PIK3R3, JAK2, JAK3 EBP 2460/4885SIGMAR1 1803/4885NR1I2 345/4885

“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.

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