SCHEMBL6033133

SCHEMBL6033133

CC(C)(C)c1ccc(SC2=NCCCS2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 1/20 0.43
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 3/20 0.39
LMNA P02545 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.39
KIF11 P52732 1/20 0.38
HTR1D P28221 1/20 0.35
ADRA1A P35348 1/20 0.35
NISCH Q9Y2I1 1/20 0.35
P4HB P07237 1/20 0.35
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 2/20 0.34
HK1 P19367 1/20 0.34
HKDC1 Q2TB90 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
SCHEMBL6033049 0.81 MAPT (0.46) PTGIRALDH1A1KMT2ALMNANPSR1
SCHEMBL6033461 0.79 MAPT (0.39) ALDH1A1KMT2ALMNASMN1; SMN2TP53
SCHEMBL6033318 0.78 SMN1; SMN2 (0.36) ALDH1A1KMT2ALMNANPSR1SMN1; SMN2
SCHEMBL6033404 0.78 ALDH1A1 (0.41) PTGIRALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL6032664 0.78 TSHR (0.43) KMT2ALMNAMEN1P4HBRAB9A
SCHEMBL6032247 0.78 NOS3 (0.35) ALDH1A1KMT2ALMNANPSR1MEN1
SCHEMBL6033067 0.78 ALDH1A1 (0.41) PTGIRALDH1A1KMT2ALMNANPSR1
SCHEMBL6033024 0.77 KMT2A (0.48) PTGIRALDH1A1KMT2ALMNANPSR1
SCHEMBL6032640 0.72 GFER (0.52) PTGIRALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL6033077 0.71 HAO1 (0.40) KMT2ALMNAMEN1RAB9ANPC1

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
US-7084137-B2 Thiazines and thiazoles as agents for protecting materials BAYER AKTIENGESELLSCHAFT (DE) 2006-08-01 US claimed
US-20040204405-A1 Thiazines and thiazoles as agents for protecting materials LANXESS DEUTSCHLAND GMBH (DE) 2004-10-14 US claimed
EP-1437940-A1 THIAZINES AND THIAZOLES FOR USE AS MATERIAL PROTECTIVE AGENTS Bayer Chemicals AG (DE) 2004-07-21 EP claimed
US-20030129081-A1 Thiazines and thiazoles as agents for protecting materials BAYER AKTIENGESELLSCHAFT (DE) 2003-07-10 US claimed
WO-2003001913-A1 THIAZINES AND THIAZOLES FOR USE AS MATERIAL PROTECTIVE AGENTS BAYER CHEMICALS AG (DE) 2003-01-09 WO claimed
US-7084137-B2 Thiazines and thiazoles as agents for protecting materials BAYER AKTIENGESELLSCHAFT (DE) 2006-08-01 US disclosed
US-20040204405-A1 Thiazines and thiazoles as agents for protecting materials LANXESS DEUTSCHLAND GMBH (DE) 2004-10-14 US disclosed
EP-1437940-A1 THIAZINES AND THIAZOLES FOR USE AS MATERIAL PROTECTIVE AGENTS Bayer Chemicals AG (DE) 2004-07-21 EP disclosed
US-20030129081-A1 Thiazines and thiazoles as agents for protecting materials BAYER AKTIENGESELLSCHAFT (DE) 2003-07-10 US disclosed
WO-2003001913-A1 THIAZINES AND THIAZOLES FOR USE AS MATERIAL PROTECTIVE AGENTS BAYER CHEMICALS AG (DE) 2003-01-09 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 (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-20030129081-A1 Thiazines and thiazoles as agents for protecting materials POT1, NAT1, GPX1 PTGIR 3848/4885ALDH1A1 40/4885KMT2A 4152/4885
US-20040204405-A1 Thiazines and thiazoles as agents for protecting materials POT1, NAT1, GPX1 PTGIR 3848/4885ALDH1A1 40/4885KMT2A 4152/4885

“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.