SCHEMBL8300328

SCHEMBL8300328

C=CCOC(=O)C1=CS(=O)(=O)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHOA P61586 1/20 1.00
CYP3A4 P08684 1/20 0.51
ALDH1A1 P00352 5/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 1/20 0.46
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 4/20 0.38
LMNA P02545 3/20 0.38
FGFR1 P11362 1/20 0.38
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
CA2 P00918 3/20 0.36
CA1 P00915 2/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SNCA P37840 1/20 0.36
CA12 O43570 1/20 0.35

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
SCHEMBL6282689 0.72 CYP3A4 (0.82) RHOACYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL11882115 0.70 RHOA (0.54) RHOACYP3A4LMNAKDM4EKMT2A
SCHEMBL9753906 0.69 RHOA (0.53) RHOACYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL27474785 0.69 CYP3A4 (1.00) RHOACYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL29362146 0.69 CYP3A4 (1.00) RHOACYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL16371573 0.69 CYP3A4 (1.00) RHOACYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL15174 0.69 CYP3A4 (1.00) RHOACYP3A4ALDH1A1TSHRHSD17B10
Ethylene SCHEMBL11883084 0.68 CYP3A4 (0.96) RHOACYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL11394446 0.68 CYP3A4 (0.96) RHOACYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL11394440 0.68 CYP3A4 (0.96) RHOACYP3A4ALDH1A1TSHRHSD17B10

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-20070037785-A1 Novel dipeptidyl peptidase IV inhibitors used for functionally influencing different cells and treating immunological, infammatory, neuronal, and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-02-15 US disclosed
US-20070037785-A1 Novel dipeptidyl peptidase IV inhibitors used for functionally influencing different cells and treating immunological, infammatory, neuronal, and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-02-15 US disclosed
WO-2005037779-A2 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS USED FOR FUNCTIONALLY INFLUENCING DIFFERENT CELLS AND TREATING IMMUNOLOGICAL, INFLAMMATORY, NEURONAL, AND OTHER DISEASES IMTM GMBH (DE) 2005-04-28 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 (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-20070037785-A1 Novel dipeptidyl peptidase IV inhibitors used for functionally influencing different cells and treating immunological, infammatory, neuronal, and other diseases DNPEP, PREP, DPP4 RHOA 3734/4885CYP3A4 611/4885ALDH1A1 1472/4885

“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.