SCHEMBL16892196

SCHEMBL16892196

COCc1c(F)cccc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
BCHE P06276 1/20 0.40
TDP1 Q9NUW8 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 5/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38

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
SCHEMBL16892230 0.85 KMT2A (0.46) SMN1; SMN2NPC1KMT2AALDH1A1L3MBTL1
SCHEMBL11022259 0.83 ALB (0.47) ALBSMN1; SMN2NPC1CES2CES1
SCHEMBL16280257 0.81 ALDH1A1 (0.52) TDP1KMT2AMEN1ALDH1A1ALOX15
SCHEMBL4238085 0.80 ALB (0.55) ALBCES2CES1BCHETDP1
SCHEMBL1721579 0.80 ALDH1A1 (0.49) ALBSMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL17191182 0.80 ALB (0.44) ALBSMN1; SMN2NPC1CES2CES1
SCHEMBL17146191 0.80 ALB (0.44) ALBSMN1; SMN2NPC1ALDH1A1L3MBTL1
SCHEMBL16429101 0.80 ALB (0.59) ALBSMN1; SMN2NPC1CES2CES1
SCHEMBL668359 0.79 HTT (0.53) NPC1TDP1KMT2AALDH1A1MAPK1
SCHEMBL4798654 0.79 MMP1 (0.40) SMN1; SMN2TDP1KMT2AMEN1ALDH1A1

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 ALB 2083/4885SMN1; SMN2 1758/4885NPC1 2981/4885
US-20150191483-A1 PYRROLIDINYL SULFONE RORGAMMA MODULATORS RORC, RORB, RORA ALB 3439/4885SMN1; SMN2 1871/4885NPC1 2694/4885

“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.