SCHEMBL7217776

SCHEMBL7217776

O=C(OCc1cccs1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.62
LMNA P02545 5/20 0.62
ALDH1A1 P00352 3/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
KMT2A Q03164 3/20 0.58
TDP1 Q9NUW8 2/20 0.58
SLC6A2 P23975 1/20 0.58
SLC6A3 Q01959 1/20 0.58
NPC1 O15118 5/20 0.50
RAB9A P51151 4/20 0.50
MEN1 O00255 2/20 0.49
SLC1A3 P43003 1/20 0.49
SLC1A2 P43004 1/20 0.49
SLC1A1 P43005 1/20 0.49
MAPK1 P28482 1/20 0.49
HIF1A Q16665 1/20 0.49
POLB P06746 2/20 0.48
PPARG P37231 1/20 0.47

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
SCHEMBL13885611 0.88 MEN1 (0.56) HPGDLMNAALDH1A1NFKB1NFKB2
SCHEMBL17540916 0.83 HPGD (0.59) HPGDLMNAALDH1A1NFKB1NFKB2
SCHEMBL13496587 0.82 SLC1A3 (0.54) HPGDLMNAALDH1A1KMT2ATDP1
SCHEMBL28873609 0.81 TDP1 (0.62) HPGDLMNAALDH1A1NFKB1NFKB2
SCHEMBL28711480 0.80 NPC1 (0.55) HPGDLMNAALDH1A1TDP1SLC6A2
SCHEMBL3944177 0.79 TDP1 (0.59) HPGDLMNAALDH1A1KMT2ATDP1
SCHEMBL28711481 0.79 SLC1A3 (0.51) HPGDLMNAALDH1A1TDP1SLC6A2
Benzoic Acid SCHEMBL29002945 0.77 HPGD (0.50) HPGDLMNAALDH1A1KMT2ATDP1
SCHEMBL1455602 0.77 RAB9A (0.53) HPGDLMNAALDH1A1KMT2ANPC1
SCHEMBL3409571 0.77 NPC1 (0.56) HPGDLMNAALDH1A1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113979955-A Preparation method of heterocyclic ester compound 河南农业大学 2022-01-28 CN disclosed
US-6613804-B2 Treatment of hypertension, cardiovascular disease, pulmonary hypertension, erythropoietin-mediated vasoconstriction, endotoxin shock, pulmonary hypertension, anaphylactic shock and hemorrhagic shock ENCYSIVE PHARMACEUTICALS, INC. 2003-09-02 US disclosed
US-20020095041-A1 Biphenylsulfonamides and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS INC. 2002-07-18 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-20020095041-A1 Biphenylsulfonamides and derivatives thereof that modulate the activity of endothelin EDNRB, EDNRA, ECE2 HPGD 1549/4885LMNA 2371/4885ALDH1A1 3642/4885

“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.