SCHEMBL14730974

SCHEMBL14730974

O=Cc1ccc(C(=O)NCCSSCCO)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
NFKB1 P19838 3/20 0.43
NFKB2 Q00653 3/20 0.43
RELA Q04206 3/20 0.43
HPGD P15428 2/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RECQL P46063 1/20 0.42
ALDH1A1 P00352 5/20 0.41
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL1664008 0.84 POLB (0.53) EPHX2NR1H4HPGDMAPK1ALDH1A1
SCHEMBL16784533 0.82 EPHX2 (0.41) EPHX2NR1H4NPC1RAB9ASMN1; SMN2
SCHEMBL16784522 0.82 LMNA (0.47) EPHX2NR1H4NPC1RAB9ASMN1; SMN2
SCHEMBL16784512 0.81 EPHX2 (0.40) EPHX2NR1H4NPC1RAB9ASMN1; SMN2
SCHEMBL13349295 0.78 POLB (0.60) EPHX2NR1H4NPC1RAB9AMAPK1
SCHEMBL13063463 0.76 EPHX2 (0.51) EPHX2NR1H4NPC1RAB9ANFKB1
SCHEMBL10050998 0.76 KDM4E (0.57) EPHX2NR1H4NPC1RAB9AMAPK1
SCHEMBL9625733 0.76 EPHX2 (0.51) EPHX2NR1H4NPC1RAB9ASMN1; SMN2
SCHEMBL19262987 0.76 TSHR (0.64) EPHX2NR1H4NFKB1MAPK1ALDH1A1
SCHEMBL12641858 0.75 GAA (0.57) EPHX2NR1H4HPGDMAPK1ALDH1A1

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-9045750-B2 Humanized lewis-Y specific antibody-based delivery of dicer substrate siRNA (D-siRNA) against STAT3 MA YUELONG (US) 2015-06-02 US disclosed
US-20130052731-A1 HUMANIZED LEWIS-Y SPECIFIC ANTIBODY-BASED DELIVERY OF DICER SUBSTRATE siRNA (D-siRNA) AGAINST STAT3 MA YUELOG (US) 2013-02-28 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-20130052731-A1 HUMANIZED LEWIS-Y SPECIFIC ANTIBODY-BASED DELIVERY OF DICER SUBSTRATE siRNA (D-siRNA) AGAINST STAT3 AGO2, HNRNPH3, HCLS1 EPHX2 2884/4885NR1H4 3521/4885NPC1 4865/4885

“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.