SCHEMBL21393712

SCHEMBL21393712

CC(C)(C)NC(=O)CC1SC(=O)NC1=O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
HTT P42858 2/20 0.56
KDM4E B2RXH2 2/20 0.56
MAPT P10636 7/20 0.55
MAOA P21397 2/20 0.44
CISD1 Q9NZ45 2/20 0.44
ESR2 Q92731 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAOB P27338 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.36
MPI P34949 1/20 0.36
SMN1; SMN2 Q16637 1/20 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
SCHEMBL594367 0.72 KDM4E (1.00) TSHRHTTKDM4EMAPTMAOA
SCHEMBL20996982 0.72 MAP2K1 (0.58) HTTTDP1KMT2AMEN1PKM
SCHEMBL16036820 0.71 MAPT (0.63) TSHRHTTKDM4EMAPTTDP1
SCHEMBL16077676 0.71 MAPT (0.63) TSHRHTTKDM4EMAPTTDP1
SCHEMBL12601239 0.71 TSHR (0.52) TSHRHTTKDM4EMAPTMAOA
SCHEMBL18823823 0.70 POLB (0.33) TSHRKMT2AMEN1POLB
SCHEMBL18811324 0.69 ALDH1A1 (0.44) HTTTDP1KMT2AMEN1PKM
SCHEMBL8136592 0.68 GAA (0.38) TSHRHTTKDM4EMAPTKMT2A
SCHEMBL16924077 0.68
SCHEMBL264929 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11078168-B2 Substituted N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase Phenex Discovery Verwaltungs-GmbH (DE) 2021-08-03 US disclosed
US-20190292160-A1 SUBSTITUTED N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2019-09-26 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-11078168-B2 Substituted N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, INMT TSHR 2457/4885HTT 87/4885KDM4E 1577/4885
US-20190292160-A1 SUBSTITUTED N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT TSHR 2457/4885HTT 87/4885KDM4E 1577/4885

“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.