SCHEMBL12019019

SCHEMBL12019019

NC(=S)CCCCCCC(N)=S

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
ATM Q13315 1/20 0.36
ATR Q13535 1/20 0.36
SPHK2 Q9NRA0 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
LMNA P02545 2/20 0.32
NFKB1 P19838 1/20 0.32
PMP22 Q01453 1/20 0.32
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PLG P00747 1/20 0.30
THRB P10828 1/20 0.30
ALOX15 P16050 1/20 0.30
SLC6A2 P23975 1/20 0.30
RECQL P46063 1/20 0.30
SLC6A3 Q01959 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL11854035 1.00 TSHR (0.36) TSHRATMATRSPHK2SPHK1
SCHEMBL2208010 0.96 TSHR (0.39) TSHRATMATRSPHK2SPHK1
SCHEMBL9843584 0.88
SCHEMBL2205997 0.87 GPR84 (0.43) TSHRLMNAMEN1ALDH1A1KMT2A
SCHEMBL2206803 0.87 GPR84 (0.43) TSHRLMNAMEN1ALDH1A1KMT2A
SCHEMBL10457166 0.87 KMT2A (0.43) TSHRLMNANFKB1PMP22MEN1
SCHEMBL2205259 0.87 GPR84 (0.43) TSHRLMNAMEN1ALDH1A1KMT2A
SCHEMBL2206691 0.87 GPR84 (0.43) TSHRLMNAMEN1ALDH1A1KMT2A
SCHEMBL2206084 0.87
SCHEMBL1312624 0.85 SPHK2 (0.56) TSHRSPHK2SPHK1MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120220753-A1 N-Terminal Dimerization Methods with Bis-Amindino Acid and Bis-Thioimidate Derivatives THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE 2012-08-30 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-20120220753-A1 N-Terminal Dimerization Methods with Bis-Amindino Acid and Bis-Thioimidate Derivatives ERBB2, MAX, DNPEP TSHR 1044/4885ATM 3499/4885ATR 2898/4885

“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.