SCHEMBL17712263

SCHEMBL17712263

CC(C)(C)OC(=O)c1csc(C#N)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.46
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ABCB1 P08183 2/20 0.38
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAOA P21397 1/20 0.34
ACHE P22303 1/20 0.34
GAA P10253 1/20 0.33
GABRA1 P14867 6/20 0.33
GABRG2 P18507 6/20 0.33
GABRB3 P28472 6/20 0.33
GABRA2 P47869 6/20 0.33
GABRA3 P34903 5/20 0.33

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
SCHEMBL18832382 0.78 RAB9A (0.59) ALDH1A1SMN1; SMN2KDM4EMEN1NPC1
SCHEMBL29911299 0.77 HPGDS (0.52) HPGDSALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL163269 0.77 HPGDS (0.50) HPGDSALDH1A1SMN1; SMN2ABCB1MEN1
SCHEMBL16355745 0.77 HPGDS (0.50) HPGDSALDH1A1KDM4EABCB1MEN1
SCHEMBL1272075 0.77 HPGDS (0.50) HPGDSALDH1A1ABCB1MEN1NPC1
SCHEMBL15464372 0.76 HPGDS (0.57) HPGDSALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL9297597 0.76 KDM1A (0.45) ALDH1A1SMN1; SMN2KDM4ENPC1MAPT
SCHEMBL17716411 0.76 HPGDS (0.47) HPGDSALDH1A1SMN1; SMN2KDM4EABCB1
SCHEMBL19047193 0.76 HPGDS (0.44) HPGDSALDH1A1SMN1; SMN2ABCB1MEN1
SCHEMBL20951358 0.76 HPGDS (0.52) HPGDSALDH1A1KDM4EABCB1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108064224-B Amide-substituted thiazoles as modulators of Ror gamma t 詹森药业有限公司 2022-03-29 CN disclosed
EP-3212642-B1 AMIDE SUBSTITUTED THIAZOLES AS MODULATORS OF RORGAMMAT JANSSEN PHARMACEUTICA NV (BE) 2019-10-30 EP disclosed
CN-108064224-A Amide-substituted thiazoles as modulators of Ror gamma t 詹森药业有限公司 2018-05-22 CN disclosed
US-9845319-B2 Amide substituted thiazoles as modulators of RORyt Janssen Pharmaceutiuca NV (BE) 2017-12-19 US disclosed
US-9845319-B2 Amide substituted thiazoles as modulators of RORyt Janssen Pharmaceutiuca NV (BE) 2017-12-19 US disclosed
US-9845319-B2 Amide substituted thiazoles as modulators of RORyt Janssen Pharmaceutiuca NV (BE) 2017-12-19 US disclosed
EP-3212642-A1 AMIDE SUBSTITUTED THIAZOLES AS MODULATORS OF RORyT Janssen Pharmaceutica NV (BE) 2017-09-06 EP disclosed
WO-2016069978-A1 AMIDE SUBSTITUTED THIAZOLES AS MODULATORS OF RORγT JANSSEN PHARMACEUTICA NV (BE) 2016-05-06 WO disclosed
US-20160122335-A1 AMIDE SUBSTITUTED THIAZOLES AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (US) 2016-05-05 US disclosed
US-20160122335-A1 AMIDE SUBSTITUTED THIAZOLES AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (US) 2016-05-05 US disclosed
US-20160122335-A1 AMIDE SUBSTITUTED THIAZOLES AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (US) 2016-05-05 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-20160122335-A1 AMIDE SUBSTITUTED THIAZOLES AS MODULATORS OF RORyt RORC, RORA, RORB HPGDS 2087/4885ALDH1A1 241/4885SMN1; SMN2 4167/4885

“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.