Sugi Predict

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SCHEMBL718399

SCHEMBL718399

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 7/20 0.37
▸ PRSS2 P07478 7/20 0.37
▸ F7 P08709 7/20 0.37
▸ F3 P13726 7/20 0.37
▸ PRSS3 P35030 7/20 0.37
▸ F2 P00734 6/20 0.37
▸ F10 P00742 6/20 0.37
▸ KMT2A Q03164 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ACSL1 P33121 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ FFAR1 O14842 2/20 0.33
▸ CTSL P07711 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ CTSK P43235 1/20 0.33

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
SCHEMBL720836 0.93 PRSS1 (0.37) PRSS1PRSS2F7F3PRSS3
SCHEMBL721354 0.92 KMT2A (0.36) KMT2ANPC1RAB9AACSL1MAPT
SCHEMBL2669893 0.92 PRSS1 (0.35) PRSS1PRSS2F7F3PRSS3
SCHEMBL718268 0.87 PRSS1 (0.36) PRSS1PRSS2F7F3PRSS3
SCHEMBL717092 0.86 NPC1 (0.37) KMT2ANPC1RAB9AFFAR1L3MBTL1
SCHEMBL718752 0.85 KMT2A (0.36) KMT2ANPC1RAB9AACSL1MAPT
SCHEMBL2669954 0.84 L3MBTL1 (0.34) KMT2ANPC1RAB9AL3MBTL1
SCHEMBL718117 0.83 NAMPT (0.34) KMT2ANPC1RAB9A
SCHEMBL2669903 0.83 L3MBTL1 (0.34) KMT2ANPC1RAB9AFFAR1L3MBTL1
SCHEMBL720246 0.83 NPC1 (0.43) KMT2ANPC1RAB9AACSL1MAPT

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 8 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 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.