SCHEMBL4615301

SCHEMBL4615301

CC(C)(C)OC(=O)CNc1ccc(CC(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 7/20 0.47
FFAR1 O14842 3/20 0.47
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
MITF O75030 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 1/20 0.43
GFER P55789 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
CA2 P00918 1/20 0.41
CAMK2A Q9UQM7 1/20 0.41
EPHX2 P34913 1/20 0.40

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
SCHEMBL16355781 0.91 MAPT (0.43) POLBSMN1; SMN2KMT2ACA2
SCHEMBL7361208 0.89 NR1H4 (0.43) NR1H4FFAR1KDM4EPOLBMITF
SCHEMBL4612953 0.88 SMN1; SMN2 (0.51) KDM4ESMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL1688815 0.87 POLB (0.47) KDM4EPOLBSMN1; SMN2RAB9AMEN1
SCHEMBL28250548 0.83 LOXL2 (0.44) POLBCA2
SCHEMBL303932 0.82 PKM (0.46) POLBSMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL21554546 0.82 CA2 (0.50) NR1H4FFAR1KDM4EPOLBHSD17B10
SCHEMBL25186555 0.81 PKM (0.43) SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL846596 0.81 MAPT (0.44) NR1H4KDM4EPOLBSMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL1169286 0.81 PKM (0.45) POLBSMN1; SMN2RAB9AMEN1KMT2A

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
EP-1599477-B1 SULFONAMIDE SUBSTITUTED XANTHINE DERIVATIVES FOR USE AS PEPCK INHIBITORS HOFFMANN LA ROCHE (CH) 2008-01-30 EP disclosed
US-7148229-B2 Sulfonamide substituted xanthine derivatives HOFFMAN-LA ROCHE INC. (US) 2006-12-12 US disclosed
EP-1599477-A1 SULFONAMIDE SUBSTITUTED XANTHINE DERIVATIVES FOR USE AS PEPCK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-30 EP disclosed
US-20040192708-A1 Sulfonamide substituted xanthine derivatives DUNTEN PETER W (US) 2004-09-30 US disclosed
WO-2004074288-A1 SULFONAMIDE SUBSTITUTED XANTHINE DERIVATIVES FOR USE AS PEPCK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-02 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-20040192708-A1 Sulfonamide substituted xanthine derivatives GYS2, SLC5A1, SLC5A2 NR1H4 206/4885FFAR1 187/4885KDM4E 2503/4885

“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.