SCHEMBL4101521

SCHEMBL4101521

OCC1CCCN1Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 9/20 0.47
SPHK1 Q9NYA1 8/20 0.47
FFAR1 O14842 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CHRNB2 P17787 1/20 0.41
CHRNA5 P30532 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
CCNE2 O96020 1/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39

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
SCHEMBL4101527 1.00 SPHK2 (0.47) SPHK2SPHK1FFAR1MEN1KMT2A
SCHEMBL7246915 0.83 NPC1 (0.45) FFAR1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL503024 0.79 NPC1 (0.39) FFAR1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL8188491 0.79 NPC1 (0.50) MEN1KMT2A
SCHEMBL25616910 0.75 CHRNB2 (0.53) SPHK2SPHK1FFAR1MEN1KMT2A
SCHEMBL7142157 0.75 CHRNB2 (0.38) FFAR1CHRNB2CHRNA7CHRNA4CHRNB4
SCHEMBL21901156 0.75 OPRM1 (0.35) SPHK2MEN1KMT2A
Hydrochloric Acid SCHEMBL2434339 0.74 ALDH1A1 (0.46) CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL11343485 0.74 FFAR1 (0.52) FFAR1MEN1KMT2ACCNE2CDK4
SCHEMBL6645372 0.74 FFAR1 (0.52) FFAR1MEN1KMT2ACCNE2CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130149239-A1 5-PYRROLIDINYLSULFONYL-ISATIN DERIVATIVES UNIVERSITATSKLINIKUM MUNSTER (DE) 2013-06-13 US disclosed
US-8440841-B2 5-pyrrolidinylsulfonyl isatin derivatives Universitätsklinikum Münster (DE) 2013-05-14 US disclosed
US-20090041664-A1 5-Pyrrolidinylsulfonyl Isatin Derivatives UNIVERSITATSKLINIKUM MUNSTER (DE) 2009-02-12 US disclosed
EP-1841759-A2 5-PYRROLIDINYLSULFONYL ISATIN DERIVATIVES Universitätsklinikum Münster (DE) 2007-10-10 EP disclosed
WO-2006074799-A2 5-PYRROLIDINYLSULFONYL ISATIN DERIVATIVES Universitätsklinikum Münster (DE) 2006-07-20 WO 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-20130149239-A1 5-PYRROLIDINYLSULFONYL-ISATIN DERIVATIVES CASP5, SLC1A5, CTSZ SPHK2 2287/4885SPHK1 1932/4885FFAR1 466/4885
US-20090041664-A1 5-Pyrrolidinylsulfonyl Isatin Derivatives CASP5, CTSZ, CTSS SPHK2 2472/4885SPHK1 2124/4885FFAR1 417/4885

“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.