SCHEMBL970072

SCHEMBL970072

CC(C)(C)OC(=O)Nc1nnc(S)s1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
GLS O94925 3/20 0.42
LCK P06239 6/20 0.41
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 2/20 0.38
RECQL P46063 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RCE1 Q9Y256 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL17397826 0.87 CA1 (0.51) CA1CA2GLSLCKALDH1A1
SCHEMBL10404148 0.82 KDM4E (0.53) CA1CA2GLSALDH1A1GAA
SCHEMBL15386264 0.81 CA1 (0.61) CA1CA2LCKALDH1A1RECQL
SCHEMBL18834722 0.81 CA1 (0.61) CA1CA2GLSLCKALDH1A1
SCHEMBL283195 0.80 CA1 (0.60) CA1CA2ALDH1A1KDM4EHPGD
SCHEMBL15861545 0.79 CA1 (0.58) CA1CA2GLSLCKALDH1A1
SCHEMBL8834429 0.79 ALDH1A1 (0.63) CA1CA2GLSALDH1A1GAA
SCHEMBL31421146 0.78 CA1 (0.57) CA1CA2GLSALDH1A1GAA
SCHEMBL1691097 0.75 CA1 (0.55) CA1CA2GLSLCKALDH1A1
SCHEMBL31377111 0.75 CA1 (0.55) CA1CA2GLSALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827629-B2 CDGSH iron sulfur domain 2 activators and use thereof NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2023-11-28 US disclosed
US-11827629-B2 CDGSH iron sulfur domain 2 activators and use thereof NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2023-11-28 US disclosed
US-20220411418-A1 CDGSH IRON SULFUR DOMAIN 2 ACTIVATORS AND USE THEREOF NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2022-12-29 US disclosed
WO-2022251343-A2 CDGSH IRON SULFUR DOMAIN 2 ACTIVATORS AND USE THEREOF NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2022-12-01 WO disclosed
US-7871982-B2 Lincomycin derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-18 US disclosed
US-20090156512-A1 potent activity against resistant pneumococci MEIJI SEIKA KAISHA, LTD. (JP) 2009-06-18 US disclosed
EP-1970377-A1 LINCOMYCIN DERIVATIVE AND ANTIBACTERIAL AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2008-09-17 EP disclosed
US-4307116-A BACTERICIDES RHONE-POULENC INDUSTRIES (FR) 1981-12-22 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-20220411418-A1 CDGSH IRON SULFUR DOMAIN 2 ACTIVATORS AND USE THEREOF CISD2, CISD1, FECH CA1 4388/4885CA2 3302/4885GLS 175/4885
US-20090156512-A1 potent activity against resistant pneumococci H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NAT1, NPM1 CA1 4451/4885CA2 3115/4885GLS 1709/4885
US-11827629-B2 CDGSH iron sulfur domain 2 activators and use thereof CISD2, CISD1, FECH CA1 4388/4885CA2 3302/4885GLS 175/4885

“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.