SCHEMBL3129478

SCHEMBL3129478

COc1cc(N(Cc2cncs2)c2cccc(C(=O)O)c2)ccc1OC(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.37
LTC4S Q16873 1/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MRGPRX4 Q96LA9 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA7 P43166 1/20 0.34
TPMT P51580 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
PDE4B Q07343 2/20 0.34
MEP1B Q16820 1/20 0.34

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
SCHEMBL3123469 0.96 CTSL (0.37) CTSLLTC4SHTTKDM4EMRGPRX4
SCHEMBL3123327 0.94 PDE4A (0.38) CTSLMRGPRX4PDE4BPDE4APDE4C
SCHEMBL3129911 0.92 RXRA (0.39) CTSLMRGPRX4PDE4BPDE4APDE4C
SCHEMBL3125356 0.92 RXRA (0.39) HTTKDM4ESMN1; SMN2RXFP1NPC1
SCHEMBL3128993 0.91 HRH4 (0.39) MRGPRX4RAB9APDE4D
SCHEMBL3203001 0.89 POLB (0.35) CTSLHTTKDM4ESMN1; SMN2RXFP1
SCHEMBL3129699 0.89 RXRA (0.42) MRGPRX4PDE4BPDE4D
SCHEMBL3131039 0.88 RXRA (0.39) HTTKDM4ERAB9ACA12CA1
SCHEMBL3123721 0.87 TSHR (0.49) LTC4SMRGPRX4NPC1RAB9A
SCHEMBL3129674 0.87 PDE4D (0.43) PDE4BPDE4APDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 US claimed
WO-2010003084-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-07 WO claimed
US-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 US disclosed
US-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 US disclosed
US-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 US disclosed
WO-2010003084-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-07 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 (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-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE3B CTSL 2425/4885LTC4S 1051/4885HTT 4311/4885

“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.