SCHEMBL7500533

SCHEMBL7500533

Cc1nc(S)nc(O)c1CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 2/20 0.39
KDM4E B2RXH2 3/20 0.35
LMNA P02545 4/20 0.35
CYP1A2 P05177 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
DPP4 P27487 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL6360471 0.88 CYP1A2 (0.40) SMN1; SMN2GAAKDM4ECYP1A2HSD17B10
SCHEMBL8629548 0.81 MAPK1 (0.52) SMN1; SMN2KDM4ECYP1A2NPSR1HSD17B10
SCHEMBL7499654 0.80 SMN1; SMN2 (0.42) SMN1; SMN2GAAKDM4ELMNACYP1A2
SCHEMBL10878348 0.76 SMN1; SMN2 (0.40) SMN1; SMN2GAAKDM4ELMNACYP1A2
SCHEMBL8801602 0.75 CYP1A2 (0.40) SMN1; SMN2GAAKDM4ELMNACYP1A2
SCHEMBL7292311 0.74 KDM4E (0.31) KDM4E
SCHEMBL7505743 0.74 KDM4E (0.41) SMN1; SMN2GAAKDM4ELMNACYP1A2
Bicarbonate SCHEMBL11820621 0.74 ADORA3 (0.37) SMN1; SMN2GAAKDM4ELMNACYP1A2
SCHEMBL6980632 0.70 SMN1; SMN2 (0.36) SMN1; SMN2GAAKDM4ELMNACYP1A2
SCHEMBL12481306 0.70 CYP1A2 (0.43) SMN1; SMN2GAAKDM4ELMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220401432-A1 THERAPEUTIC METHODS, COMBINATIONS AND KITS REGENTS OF THE UNIVERSITY OF MINNESOTA 2022-12-22 US disclosed
EP-0634405-B1 Pyrimidinyl acrylic acid derivatives, process for their preparation and their use for the control of phytopathogens BAYER AG (DE) 2002-10-30 EP disclosed
US-5635508-A FUNGICIDES NOVARTIS AG (CH) 1997-06-03 US disclosed
US-5453427-A Control phytopathogenic fungi especially in monocotelydons, podery mildew and rust SANDOZ LTD. (CH) 1995-09-26 US disclosed
EP-0634405-A1 Pyrimidinyl acrylic acid derivatives, process for their preparation and their use for the control of phytopathogens SANDOZ LTD. (CH) 1995-01-18 EP disclosed
US-5089490-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-18 US disclosed
US-4758556-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-19 US disclosed
EP-0194571-A1 Heterocyclic disulfides, process for their preparation and pharmaceutical preparations containing them HOECHST AKTIENGESELLSCHAFT (DE) 1986-09-17 EP disclosed
US-4278793-A ANTIBIOTICS, BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-14 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 (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-20220401432-A1 THERAPEUTIC METHODS, COMBINATIONS AND KITS MMP8, TLR7, GOT2 SMN1; SMN2 1529/4885GAA 107/4885KDM4E 4602/4885

“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.