SCHEMBL4801273

SCHEMBL4801273

NC1C(=O)Nc2ccccc2SC1OC(=O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.44
GLA P06280 1/20 0.44
KDM4E B2RXH2 3/20 0.43
HTT P42858 2/20 0.43
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
USP2 O75604 1/20 0.41
ESR1 P03372 1/20 0.41
POLB P06746 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
PTPN7 P35236 1/20 0.41
RECQL P46063 1/20 0.41
ESR2 Q92731 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
BACE1 P56817 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36

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
SCHEMBL5886628 1.00 HSD17B10 (0.44) HSD17B10GLAKDM4EHTTTSHR
SCHEMBL4890671 0.80 KIF11 (0.38) SMN1; SMN2MAPTLMNA
SCHEMBL4899632 0.80 KIF11 (0.38) SMN1; SMN2MAPTLMNA
SCHEMBL4803591 0.72 PARP1 (0.43) HSD17B10HTTTSHRUSP2POLB
SCHEMBL6948710 0.69 MAPT (0.42) KDM4ETDP1MEN1KMT2AMAPT
SCHEMBL9024189 0.68 HSD17B10 (0.53) HSD17B10GLAKDM4EHTTTSHR
SCHEMBL9802883 0.67 HSD17B10 (0.68) HSD17B10GLAKDM4EHTTTSHR
SCHEMBL9802867 0.67 HSD17B10 (0.68) HSD17B10GLAKDM4EHTTTSHR
SCHEMBL9802876 0.67 HSD17B10 (0.68) HSD17B10GLAKDM4EHTTTSHR
SCHEMBL10670458 0.67 KDM4E (0.46) HSD17B10GLAKDM4EHTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425550-B2 Lactam glycogen phosphorylase inhibitors and method of use BRISTOL-MEYERS SQUIBB COMPANY (US) 2008-09-16 US disclosed
US-7098235-B2 Triglyceride and triglyceride-like prodrugs of glycogen phosphorylase inhibiting compounds BRISTOL-MYERS SQUIBB CO. (US) 2006-08-29 US disclosed
US-20060128687-A1 Lactam glycogen phosphorylase inhibitors and method of use SHER PHILIP 2006-06-15 US disclosed
US-7057046-B2 Lactam glycogen phosphorylase inhibitors and method of use BRISTOL-MYERS SQUIBB COMPANY (US) 2006-06-06 US disclosed
US-20040142938-A1 Triglyceride and triglyceride-like prodrugs of glycogen phosphorylase inhibiting compounds BRISTOL-MYERS SQUIBB COMPANY 2004-07-22 US disclosed
US-20040002495-A1 Lactam glycogen phosphorylase inhibitors and method of use BRISTOL-MYERS SQUIBB COMPANY 2004-01-01 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 (3 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-20040142938-A1 Triglyceride and triglyceride-like prodrugs of glycogen phosphorylase inhibiting compounds PYGL, PNLIP, PYGM HSD17B10 291/4885GLA 88/4885KDM4E 1623/4885
US-20040002495-A1 Lactam glycogen phosphorylase inhibitors and method of use PYGL, PYGM, GYS2 HSD17B10 98/4885GLA 18/4885KDM4E 1804/4885
US-20060128687-A1 Lactam glycogen phosphorylase inhibitors and method of use PYGL, PYGM, GYS1 HSD17B10 329/4885GLA 51/4885KDM4E 1235/4885

“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.