SCHEMBL3214067

SCHEMBL3214067

CCOc1ccc(N(Cc2cncs2)c2cccc(C(=O)O)c2)cc1OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.42
POLB P06746 1/20 0.42
CASP6 P55212 1/20 0.42
TSHR P16473 1/20 0.41
HRH4 Q9H3N8 1/20 0.40
CREBBP Q92793 3/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
MAPK14 Q16539 1/20 0.39
LMNA P02545 1/20 0.38
NPC1 O15118 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
RXRA P19793 4/20 0.37

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
SCHEMBL3123721 0.95 TSHR (0.49) MRGPRX4POLBCASP6TSHRHRH4
SCHEMBL3128993 0.92 HRH4 (0.39) MRGPRX4POLBCASP6TSHRHRH4
SCHEMBL3192272 0.91 RXRA (0.43) POLBCASP6TSHRHRH4TRPM8
SCHEMBL3219592 0.88 NR1H2 (0.40) HRH4CREBBPTRPM8MAPK14LMNA
SCHEMBL3215147 0.86 TSHR (0.46) POLBCASP6TSHRHRH4TRPM8
SCHEMBL3125823 0.86 TSHR (0.52) TSHRHRH4TRPM8RXRA
SCHEMBL3127725 0.85 MRGPRX4 (0.47) MRGPRX4POLBCASP6TSHRCREBBP
SCHEMBL3129699 0.84 RXRA (0.42) MRGPRX4LMNAPDE4BPDE4DRXRA
SCHEMBL3218504 0.84 LTC4S (0.46) PDE4APDE4BPDE4CPDE4DRXRA
SCHEMBL3126048 0.84 SREBF1 (0.41) POLBTSHRHRH4CREBBPTRPM8

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 MRGPRX4 407/4885POLB 1798/4885CASP6 2823/4885

“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.