SCHEMBL17709787

SCHEMBL17709787

CCOC(=O)C(C)(C)Cc1cc(Cl)ncn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
HTR2A P28223 1/20 0.38
PMP22 Q01453 1/20 0.38
PPARA Q07869 1/20 0.38
CNR2 P34972 5/20 0.37
TP53 P04637 2/20 0.36
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
PIN1 Q13526 1/20 0.34
KDR P35968 2/20 0.33
OPRK1 P41145 1/20 0.33
RAB9A P51151 1/20 0.33
MMP8 P22894 1/20 0.33
EGFR P00533 1/20 0.32
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL17721217 0.80 ALDH1A1 (0.37)
SCHEMBL28280582 0.77 CNR2 (0.45) ABCB11CYP1A2CYP3A4TSHRHTR2A
SCHEMBL11697975 0.76 KMT2A (0.42) CYP1A2CYP3A4TSHRMAPT
SCHEMBL28410600 0.74 TP53 (0.38) ABCB11CYP1A2CYP3A4TSHRHTR2A
SCHEMBL20573162 0.73 KDM4E (0.38) ABCB11CYP1A2CYP3A4TSHRHTR2A
SCHEMBL1767766 0.72 GRN (0.31)
SCHEMBL5140898 0.72 CYP1A2 (0.48) CYP1A2PIN1RAB9AMMP8
SCHEMBL30711682 0.69 CYP4F2 (0.41) ABCB11CYP1A2CYP3A4TSHRHTR2A
SCHEMBL549184 0.69 CYP1A2 (0.47) CYP1A2RAB9AMAPT
SCHEMBL2918657 0.68 JAK2 (0.39) TSHRKDRRAB9AJAK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107108598-B Thiazoles as Ror gamma t modulators 詹森药业有限公司 2020-11-17 CN disclosed
EP-3212641-B1 THIAZOLES AS MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2018-12-05 EP disclosed
US-10080744-B2 Thiazoles as modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2018-09-25 US disclosed
US-20180064690-A1 THIAZOLES AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2018-03-08 US disclosed
US-20180064690-A1 THIAZOLES AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2018-03-08 US disclosed
US-9861618-B2 Thiazoles as modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2018-01-09 US disclosed
EP-3212641-A1 THIAZOLES AS MODULATORS OF RORyt Janssen Pharmaceutica NV (BE) 2017-09-06 EP disclosed
WO-2016069976-A1 THIAZOLES AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2016-05-06 WO disclosed
US-20160120850-A1 THIAZOLES AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (US) 2016-05-05 US disclosed
US-20160120850-A1 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 (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-20160120850-A1 THIAZOLES AS MODULATORS OF RORyt RORC, RORB, RORA ABCB11 694/4885CYP1A2 561/4885CYP3A4 968/4885
US-10080744-B2 Thiazoles as modulators of RORγt RORB, RORA, RORC ABCB11 945/4885CYP1A2 476/4885CYP3A4 1019/4885
US-20180064690-A1 THIAZOLES AS MODULATORS OF RORyt RORC, RORB, RORA ABCB11 798/4885CYP1A2 645/4885CYP3A4 1102/4885

“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.