SCHEMBL16892227

SCHEMBL16892227

COCc1c(F)cccc1C(C)(C)O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
MMP1 P03956 2/20 0.32
MMP2 P08253 2/20 0.32
MMP9 P14780 1/20 0.32
MMP12 P39900 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
CA2 P00918 1/20 0.31
RORC P51449 1/20 0.31
RXRA P19793 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NR3C1 P04150 1/20 0.31
NR3C2 P08235 1/20 0.31
ADRA1A P35348 1/20 0.31

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
SCHEMBL26661890 0.86 CA2 (0.38) SMN1; SMN2MMP1MMP2MMP9MMP12
SCHEMBL17055966 0.82 SLC6A2 (0.41) SMN1; SMN2
SCHEMBL20002758 0.81 RORC (0.36) RORCNR3C1NR3C2
SCHEMBL4798654 0.79 MMP1 (0.40) SMN1; SMN2MMP1MMP2MMP9MMP12
SCHEMBL20003145 0.79 RORC (0.35) RORCNR3C1NR3C2
SCHEMBL16886258 0.79 RORC (0.35) SMN1; SMN2MMP1MMP2RORCNR3C1
SCHEMBL13318416 0.78 MAPT (0.38) SMN1; SMN2MMP1MMP2MMP9MMP12
SCHEMBL23886230 0.73 KMT2A (0.37) SMN1; SMN2KMT2ACA2KDM4EALDH1A1
SCHEMBL13248032 0.72 ACHE (0.44) SMN1; SMN2KMT2AKDM4EALDH1A1ADRA1A
SCHEMBL8583526 0.71 KCNN4 (0.42) CA2ALDH1A1

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-20160326108-A1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2016-11-10 US disclosed
US-9458171-B2 Pyrrolidinyl sulfone RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-04 US disclosed
US-20150191483-A1 PYRROLIDINYL SULFONE RORGAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2015-07-09 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-20160326108-A1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS RORC, RORB, RORA SMN1; SMN2 1758/4885MMP1 4352/4885MMP2 4735/4885
US-20150191483-A1 PYRROLIDINYL SULFONE RORGAMMA MODULATORS RORC, RORB, RORA SMN1; SMN2 1871/4885MMP1 4371/4885MMP2 4663/4885

“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.