SCHEMBL13196178

SCHEMBL13196178

C/C=C/C(=O)CCC(N)=O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
FAAH O00519 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
CNR1 P21554 1/20 0.32
KDM4E B2RXH2 2/20 0.31
TRPA1 O75762 1/20 0.30
ALOX15 P16050 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 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
SCHEMBL21894041 0.88 SOAT1 (0.38) SOAT1KMT2AMEN1FAAHTP53
SCHEMBL22024761 0.78 SOAT1 (0.33) SOAT1KMT2AMEN1FAAHTP53
SCHEMBL11382181 0.77
SCHEMBL2627708 0.77 ALDH1A1 (0.53) KMT2ATRPA1
SCHEMBL14542474 0.77
SCHEMBL1497341 0.77 LMNA (0.47) KMT2AKDM4EPMP22
SCHEMBL4816040 0.77 ALDH1A1 (0.53) KMT2ATRPA1
SCHEMBL1497338 0.77 LMNA (0.47) KMT2AKDM4EPMP22
SCHEMBL28288113 0.77
SCHEMBL7747547 0.75 TRPA1 (0.39) SOAT1CNR1KDM4ETRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2953457-B1 ERK INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2020-04-08 EP disclosed
US-9561228-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2017-02-07 US disclosed
WO-2014149164-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-09-25 WO disclosed
WO-2014124230-A2 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-08-14 WO disclosed
US-20120258967-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-10-11 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-20120258967-A1 PI3 KINASE INHIBITORS AND USES THEREOF PIK3CA, PIK3CB, PIK3C2B SOAT1 2689/4885KMT2A 2741/4885MEN1 2185/4885

“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.