SCHEMBL10003460

SCHEMBL10003460

CCc1cc2sc(C(=O)O)c(OC(C)C)c2cc1NC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 1/20 0.51
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ KCNK3 O14649 1/20 0.43
▸ KCNK9 Q9NPC2 1/20 0.43
▸ ICAM1 P05362 3/20 0.43
▸ SELE P16581 3/20 0.43
▸ BRPF1 P55201 1/20 0.42
▸ SENP5 Q96HI0 2/20 0.41
▸ SENP2 Q9HC62 2/20 0.41
▸ SENP1 Q9P0U3 2/20 0.41
▸ HPGD P15428 2/20 0.39
▸ VCAM1 P19320 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ NFKB1 P19838 1/20 0.39

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
SCHEMBL10003475 0.91 EDNRA (0.44) EDNRAHDAC1HDAC8HDAC6ICAM1
SCHEMBL10003265 0.90 ALDH1A1 (0.50) EDNRAHDAC1HDAC8HDAC6HPGD
SCHEMBL10003912 0.88 EDNRA (0.43) EDNRAKCNK3KCNK9ICAM1SELE
SCHEMBL10004213 0.86 ALDH1A1 (0.47) EDNRASENP5SENP2SENP1HPGD
SCHEMBL10003549 0.84 HTT (0.42) HDAC1HDAC8HDAC6KCNK3KCNK9
SCHEMBL10004341 0.81 NPSR1 (0.41) KDM4E
SCHEMBL10003575 0.81 MAPT (0.48) ICAM1SELEHPGDMAPTSMN1; SMN2
SCHEMBL10003254 0.78 ICAM1 (0.38) ICAM1SELEHPGDVCAM1MAPT
SCHEMBL10003879 0.76 BRPF1 (0.51) HDAC1HDAC8HDAC6KCNK3KCNK9
SCHEMBL10003184 0.76 HPGD (0.52) HPGDMAPTSMN1; SMN2KDM4ENPC1

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-2471789-B9 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-03-25 — — EP disclosed
EP-2471789-B1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-09-17 — — EP disclosed
US-8486965-B2 Pyrrolo[2,3-b]pyridine derivative and use thereof for treatment of cancer TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-16 — — US disclosed
US-20120220569-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-30 — — US disclosed
EP-2471789-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-07-04 — — EP 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-20120220569-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH EDNRA 2043/4885HDAC1 138/4885HDAC8 347/4885

“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.

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