SCHEMBL15035982

SCHEMBL15035982

CC(S)(C#N)CCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
CYP1A2 P05177 2/20 0.41
THRB P10828 2/20 0.41
NAALAD2 Q9Y3Q0 1/20 0.39
ESR1 P03372 1/20 0.36
CYP3A4 P08684 1/20 0.36
ESR2 Q92731 1/20 0.36
CHEK1 O14757 1/20 0.34
FYN P06241 1/20 0.34
PDGFRB P09619 1/20 0.34
PIM1 P11309 1/20 0.34
FGFR1 P11362 1/20 0.34
FLT1 P17948 1/20 0.34
GRK5 P34947 1/20 0.34
MAP2K2 P36507 1/20 0.34
MAPK8 P45983 1/20 0.34
CDK8 P49336 1/20 0.34
RPS6KA3 P51812 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
SCHEMBL21363136 0.78 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1CYP1A2THRB
SCHEMBL10783639 0.77 NAALAD2 (0.42) ALDH1A1KMT2AMEN1CYP1A2THRB
SCHEMBL15504 0.77 NAALAD2 (0.42) ALDH1A1KMT2AMEN1CYP1A2THRB
SCHEMBL20876110 0.76 NAALAD2 (0.41) ALDH1A1KMT2AMEN1CYP1A2THRB
SCHEMBL1316563 0.74 NAALAD2 (0.39) ALDH1A1KMT2AMEN1CYP1A2THRB
SCHEMBL21288210 0.74 NAALAD2 (0.39) ALDH1A1KMT2AMEN1CYP1A2THRB
SCHEMBL10577675 0.74 NAALAD2 (0.46) ALDH1A1KMT2AMEN1CYP1A2THRB
SCHEMBL3545824 0.74
SCHEMBL444933 0.74
SCHEMBL11720895 0.73 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1CYP1A2THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180161446-A1 ANTIBODY DRUG CONJUGATE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USES THEREOF XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2018-06-14 US disclosed
WO-2013090892-A1 SUBSTITUTED PHENACYL MOLECULES AND PHOTORESPONSIVE POLYMERS THE UNIVERSITY OF AKRON (US) 2013-06-20 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-20180161446-A1 ANTIBODY DRUG CONJUGATE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USES THEREOF FCGR3B, SI, INCENP ALDH1A1 567/4885KMT2A 3529/4885MEN1 1816/4885

“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.