SCHEMBL2515598

SCHEMBL2515598

CCS(=O)(=O)c1ccc([C]=O)s1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 2/20 0.35
CA2 P00918 6/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
LOX P28300 4/20 0.34
LOXL2 Q9Y4K0 1/20 0.33
GAA P10253 1/20 0.32
MMP2 P08253 3/20 0.32
MMP9 P14780 3/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MMP1 P03956 1/20 0.31
MMP3 P08254 1/20 0.31
MMP8 P22894 1/20 0.31
MMP14 P50281 1/20 0.31
MMP25 Q9NPA2 1/20 0.31
POLB P06746 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
SCHEMBL6326036 0.84 PSIP1 (0.38) PSIP1CA2L3MBTL1LOXLOXL2
SCHEMBL3202558 0.78 LOX (0.43) L3MBTL1LOXLOXL2MMP2MMP9
SCHEMBL3202432 0.72 MAPT (0.51) CYP3A4CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL3149551 0.72 PSIP1 (0.37) PSIP1CA2L3MBTL1LOXLOXL2
SCHEMBL12780488 0.72 KMT2A (0.51) L3MBTL1GAAMAPT
SCHEMBL2523538 0.72 LMNA (0.33) CA2L3MBTL1MMP2MMP9MAPT
SCHEMBL12123978 0.69 CYP3A4 (0.36) PSIP1CA2L3MBTL1LOXLOXL2
SCHEMBL2515601 0.69 ALDH1A1 (0.46) PSIP1CA2L3MBTL1LOXLOXL2
SCHEMBL2522107 0.68 LMNA (0.49) PSIP1CA2CYP3A4CYP2D6MAPT
SCHEMBL16879783 0.66 L3MBTL1 (0.56) L3MBTL1LOXLOXL2MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273741-B2 Imidazo-pyridazinyl compounds and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 US disclosed
US-8044049-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-25 US disclosed
US-8034812-B2 Imidazopyridazine derivative having kinase inhibitory activity and pharmaceutical agent thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-11 US disclosed
US-20100273788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-28 US disclosed
US-20100168424-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-01 US disclosed
US-20090306374-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-10 US disclosed
US-20090137595-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
EP-2049541-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-04-22 EP disclosed
WO-2008016192-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-07 WO 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 (4 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-20100273788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 PSIP1 1766/4885CA2 1158/4885L3MBTL1 3407/4885
US-20090137595-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 PSIP1 1766/4885CA2 1158/4885L3MBTL1 3407/4885
US-20090306374-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 PSIP1 1766/4885CA2 1158/4885L3MBTL1 3407/4885
US-20100168424-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 PSIP1 1928/4885CA2 998/4885L3MBTL1 3592/4885

“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.