SCHEMBL17987709

SCHEMBL17987709

CNCCCCNC(=O)CCCC(=O)NCCCOCCOCCOCCCNC

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.59
SMN1; SMN2 Q16637 1/20 0.46
CASP2 P42575 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 1/20 0.41
NAAA Q02083 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
EPHX2 P34913 1/20 0.40
RECQL P46063 1/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
FAAH O00519 1/20 0.39
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL16071577 0.92 TSHR (0.54) TSHRSMN1; SMN2CASP2MEN1KMT2A
SCHEMBL15075276 0.92 TSHR (0.74) TSHRSMN1; SMN2MEN1KMT2AHPGD
SCHEMBL15075280 0.89 DNM1 (0.50) TSHRSMN1; SMN2CASP2MEN1KMT2A
SCHEMBL17524776 0.89 TSHR (0.51) TSHRSMN1; SMN2CASP2MEN1KMT2A
SCHEMBL24511325 0.88 CASP2 (0.55) TSHRSMN1; SMN2CASP2NAAARECQL
SCHEMBL19069040 0.88 TSHR (0.50) TSHRSMN1; SMN2MEN1KMT2AHPGD
SCHEMBL17177105 0.88 TSHR (0.50) TSHRSMN1; SMN2CASP2MEN1KMT2A
SCHEMBL17905796 0.87 CASP2 (0.54) TSHRCASP2HPGDNAAAL3MBTL1
SCHEMBL23841232 0.86 TSHR (0.47) TSHRSMN1; SMN2MEN1KMT2AHPGD
SCHEMBL12200765 0.86 TSHR (0.47) TSHRSMN1; SMN2CASP2MEN1KMT2A

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-3943087-A1 HETEROARYL COMPOUNDS AND USES THEREOF Celgene CAR LLC (BM) 2022-01-26 EP disclosed
EP-2968337-B1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE CAR LLC (BM) 2021-07-21 EP disclosed
EP-2953457-B1 ERK INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2020-04-08 EP disclosed
EP-3549934-A1 HETEROARYL COMPOUNDS AND USES THEREOF Celgene CAR LLC (BM) 2019-10-09 EP disclosed
US-20160221966-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-08-04 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-20160221966-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 TSHR 2837/4885SMN1; SMN2 2352/4885CASP2 1841/4885

“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.