SCHEMBL16320620

SCHEMBL16320620

CC(C)(C)c1cc(Cc2ccccc2SN)c(O)c(C(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 2/20 0.45
CYP2C19 P33261 5/20 0.44
CYP2C9 P11712 4/20 0.44
HIF1A Q16665 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
CYP2D6 P10635 3/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 2/20 0.38
ALDH1A1 P00352 1/20 0.38
XBP1 P17861 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSP90AA1 P07900 1/20 0.36
ALOX5 P09917 2/20 0.34
PTGS2 P35354 2/20 0.34
BCL2L1 Q07817 1/20 0.34

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
SCHEMBL12324715 0.82 HSPA5 (0.49) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
SCHEMBL30903568 0.81 HSPA5 (0.66) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
SCHEMBL39554 0.81 HSPA5 (0.66) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
SCHEMBL29500375 0.81 HSPA5 (0.66) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
SCHEMBL10089368 0.80 CYP2C19 (0.47) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
SCHEMBL30578552 0.80 HSPA5 (0.53) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
SCHEMBL3685892 0.79 HSPA5 (0.63) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
SCHEMBL2786708 0.79 CYP2C19 (0.67) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
SCHEMBL7110304 0.77 CYP2C9 (0.52) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
SCHEMBL6175261 0.77 HSPA5 (0.46) HSPA5CYP2C19CYP2C9HIF1ASMN1; 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-9150676-B2 Thio-salalen catalyst EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-10-06 US disclosed
US-20140378634-A1 Thio-Salalen Catalyst EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-12-25 US disclosed
WO-2014204624-A1 THIO-SALALEN CATALYST EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-12-24 WO 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-20140378634-A1 Thio-Salalen Catalyst TST, SPR, STS HSPA5 2818/4885CYP2C19 2006/4885CYP2C9 3050/4885

“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.