SCHEMBL10003431

SCHEMBL10003431

CCc1cc2sc(C(=O)O)c(OCC(F)(F)F)c2cc1NC(=O)c1ccsc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ CASP3 P42574 3/20 0.35
▸ SENP8 Q96LD8 3/20 0.35
▸ SENP7 Q9BQF6 3/20 0.35
▸ SENP6 Q9GZR1 3/20 0.35
▸ KCNK3 O14649 1/20 0.34
▸ KCNK9 Q9NPC2 1/20 0.34
▸ LCK P06239 2/20 0.34
▸ MAPT P10636 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ DAO P14920 1/20 0.33
▸ SENP5 Q96HI0 1/20 0.33
▸ SENP2 Q9HC62 1/20 0.33
▸ SENP1 Q9P0U3 1/20 0.33
▸ CYP3A4 P08684 2/20 0.32

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
SCHEMBL10003532 0.90 ALDH1A1 (0.36) HPGDKMT2AMEN1NPC1RAB9A
SCHEMBL10003549 0.89 HTT (0.42) HPGDKMT2AMEN1NPC1RAB9A
SCHEMBL10003912 0.85 EDNRA (0.43) HPGDKMT2AMEN1NPC1RAB9A
SCHEMBL10004105 0.81 ELANE (0.34) HPGDKMT2ANPC1RAB9AKCNK3
SCHEMBL10004066 0.80 ALDH1A1 (0.48) HPGDKMT2AMEN1NPC1RAB9A
SCHEMBL10003172 0.78 HTT (0.43) HPGDKMT2AMEN1NPC1RAB9A
SCHEMBL10004233 0.76 ELANE (0.36) HPGDKMT2AMEN1NPC1RAB9A
SCHEMBL10003254 0.75 ICAM1 (0.38) HPGDKMT2AMEN1NPC1RAB9A
SCHEMBL10004202 0.74 ELANE (0.33) HPGDNPC1RAB9ACASP3SENP8
SCHEMBL10003460 0.73 EDNRA (0.51) HPGDNPC1RAB9AKCNK3KCNK9

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 HPGD 539/4885KMT2A 423/4885MEN1 335/4885

“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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