SCHEMBL3913435

SCHEMBL3913435

Cc1oc(-c2ccc(C(F)(F)F)cc2)cc1CC(=O)Nc1cccc(CSCC(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SENP1 Q9P0U3 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
NLRP3 Q96P20 1/20 0.43
P2RY14 Q15391 3/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
ANO1 Q5XXA6 2/20 0.41
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL3904674 0.91 SENP1 (0.43) SENP1L3MBTL1NLRP3P2RY14MAPT
SCHEMBL3909286 0.86 ALDH1A1 (0.51) SENP1L3MBTL1MAPTMEN1KMT2A
SCHEMBL3906529 0.83 SLC1A3 (0.41) SENP1L3MBTL1NLRP3MAPTMEN1
SCHEMBL3908568 0.82 SLC1A3 (0.40) SENP1L3MBTL1NLRP3MAPTSLC1A3
SCHEMBL3904241 0.80 CYP1A2 (0.47) ANO1CYP1A2CYP2C9PPARGPPARD
SCHEMBL3911120 0.79 NR1H4 (0.47) L3MBTL1MAPTMEN1KMT2ASLC1A3
SCHEMBL3903327 0.78 PPARG (0.47) L3MBTL1MAPTMEN1KMT2ASLC1A3
SCHEMBL13802290 0.77 PPARD (0.43) L3MBTL1PPARGPPARDPPARAALDH1A1
SCHEMBL3912825 0.76 PPARG (0.43) L3MBTL1MAPTMEN1KMT2ATP53
SCHEMBL3902355 0.75 ALDH1A1 (0.53) SENP1L3MBTL1MAPTMEN1KMT2A

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
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 US disclosed
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 US disclosed
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 US disclosed
US-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED INTELLECTUAL PROPERTY DEPARTMENT (JP) 2006-05-11 US disclosed
EP-1535915-A1 FURAN OR THIOPHENE DERIVATIVE AND MEDICINAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-06-01 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-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TXN2, CYP11B2, CYP11B1 SENP1 4527/4885L3MBTL1 1515/4885NLRP3 1493/4885

“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.