SCHEMBL4980986

SCHEMBL4980986

COc1ccc(C2=NNC3(S2)C(=O)Nc2ccc(OC)cc23)cc1

nearest known ligand 0.84

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 19/20 0.84
MMP12 P39900 1/20 0.68
ALDH1A1 P00352 3/20 0.60
LMNA P02545 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
MAPT P10636 2/20 0.60
HPGD P15428 2/20 0.60
HTT P42858 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
KDM4E B2RXH2 1/20 0.60
TP53 P04637 1/20 0.60
SLC27A2 O14975 1/20 0.58
MEN1 O00255 2/20 0.58
MAPK1 P28482 2/20 0.58
KMT2A Q03164 2/20 0.58
XBP1 P17861 1/20 0.58
MDM2 Q00987 1/20 0.58

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
SCHEMBL24571271 0.93 ADAMTS5 (0.87) ADAMTS5MMP12ALDH1A1LMNASMN1; SMN2
SCHEMBL22571240 0.93 ADAMTS5 (0.87) ADAMTS5MMP12ALDH1A1LMNASMN1; SMN2
SCHEMBL4985793 0.93 ADAMTS5 (0.77) ADAMTS5MMP12ALDH1A1LMNASMN1; SMN2
SCHEMBL4354284 0.92 ADAMTS5 (1.00) ADAMTS5MMP12ALDH1A1LMNASMN1; SMN2
SCHEMBL22571292 0.92 ADAMTS5 (0.72) ADAMTS5MMP12ALDH1A1LMNASMN1; SMN2
SCHEMBL4980994 0.91 ADAMTS5 (1.00) ADAMTS5MMP12ALDH1A1LMNASMN1; SMN2
SCHEMBL24571121 0.91 ADAMTS5 (0.78) ADAMTS5MMP12ALDH1A1LMNASMN1; SMN2
SCHEMBL4983286 0.91 ADAMTS5 (1.00) ADAMTS5MMP12ALDH1A1LMNASMN1; SMN2
SCHEMBL4352205 0.89 ADAMTS5 (1.00) ADAMTS5MMP12ALDH1A1LMNASMN1; SMN2
SCHEMBL4347482 0.89 ADAMTS5 (1.00) ADAMTS5MMP12ALDH1A1LMNASMN1; SMN2

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-20080125469-A1 Thiadiazole compounds and methods of use thereof WYETH (US) 2008-05-29 US claimed
US-20220202785-A1 SMALL MOLECULE INHIBITORS OF GPCR GPR68 AND RELATED RECEPTORS FOR TREATING CANCER, GLIOBLASTOMA, AND OTHER INDICATIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-06-30 US disclosed
US-20080125469-A1 Thiadiazole compounds and methods of use thereof WYETH (US) 2008-05-29 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 (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-20220202785-A1 SMALL MOLECULE INHIBITORS OF GPCR GPR68 AND RELATED RECEPTORS FOR TREATING CANCER, GLIOBLASTOMA, AND OTHER INDICATIONS GPR68, GPR65, GPR4 ADAMTS5 3017/4885MMP12 1094/4885ALDH1A1 4359/4885
US-20080125469-A1 Thiadiazole compounds and methods of use thereof ADAMTS5, ADAMTS1, TIMP3 ADAMTS5 1/4885MMP12 26/4885ALDH1A1 388/4885

“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.