SCHEMBL12744426

SCHEMBL12744426

CNS(=O)(=O)CCSc1nccc(O)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.36
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.34
ALDH1A1 P00352 5/20 0.33
HPGD P15428 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
NPSR1 Q6W5P4 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
GLA P06280 1/20 0.32
DUSP10 Q9Y6W6 1/20 0.31
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
LMNA P02545 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
SCHEMBL6135340 0.75 HPGD (0.40) ALOX15KMT2AALDH1A1HPGDNPC1
SCHEMBL7022821 0.70 GPR84 (0.47) KMT2AALDH1A1HPGDNPC1RAB9A
SCHEMBL12744425 0.69 ALDH1A1 (0.50) KMT2AALDH1A1HPGDNPC1RAB9A
SCHEMBL16920981 0.68 ALDH1A1 (0.47) POLBALDH1A1HPGDNPC1RAB9A
SCHEMBL6087618 0.67 ALOX15 (0.68) ALOX15KMT2APOLBALDH1A1HPGD
SCHEMBL2558503 0.67 ALOX15 (0.39) ALOX15KMT2APOLBALDH1A1HPGD
SCHEMBL5928189 0.66 ALDH1A1 (0.33) ALOX15KMT2APOLBALDH1A1HPGD
SCHEMBL1131654 0.65
SCHEMBL8194267 0.64 GAA (0.49) ALOX15KMT2APOLBALDH1A1HPGD
SCHEMBL23929026 0.63 TP53 (0.61) KMT2APOLBALDH1A1HPGDNPC1

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-7910611-B2 Therapeutic agent for restenosis KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-03-22 US disclosed
US-20100029625-A1 Therapeutic Agent for Restenosis KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-02-04 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-20100029625-A1 Therapeutic Agent for Restenosis NR1H2, NR1H3, LDLR ALOX15 1749/4885KMT2A 2642/4885POLB 4407/4885

“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.