SCHEMBL718268

SCHEMBL718268

Cc1c(C(Nc2ccc(C(=O)N(C)CCC(=O)O)cc2)C2CCCCC2)oc2ccc(OC3CCOCC3)cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 6/20 0.36
PRSS2 P07478 6/20 0.36
F7 P08709 6/20 0.36
F3 P13726 6/20 0.36
PRSS3 P35030 6/20 0.36
F2 P00734 5/20 0.36
F10 P00742 5/20 0.36
PTGS2 P35354 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.33
ACSL1 P33121 1/20 0.33
TEAD4 Q15561 1/20 0.33
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
PIK3CG P48736 1/20 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
SCHEMBL720539 0.93 MAPT (0.36) PRSS1PRSS2F7F3PRSS3
SCHEMBL721733 0.92 KMT2A (0.35) NPC1RAB9AKMT2ATP53MAPT
SCHEMBL719677 0.91 NPC1 (0.34) NPC1RAB9AKMT2ATP53MAPT
SCHEMBL719676 0.91 NPC1 (0.34) NPC1RAB9AKMT2ATP53MAPT
SCHEMBL719915 0.90 NPC1 (0.45) NPC1RAB9AKMT2ATP53MAPT
SCHEMBL716539 0.88 KMT2A (0.34) NPC1RAB9AKMT2ATP53POLB
SCHEMBL718399 0.87 PRSS1 (0.37) PRSS1PRSS2F7F3PRSS3
SCHEMBL720639 0.86 TEAD4 (0.37) NPC1RAB9AKMT2ATP53MAPT
SCHEMBL720498 0.86 CASP3 (0.40) NPC1RAB9AKMT2AMAPTL3MBTL1
SCHEMBL718240 0.86 NPC1 (0.40) NPC1RAB9AKMT2ATP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US claimed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US claimed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US claimed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP claimed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 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 (2 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP PRSS1 3015/4885PRSS2 2382/4885F7 2480/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP PRSS1 3015/4885PRSS2 2382/4885F7 2480/4885

“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.