SCHEMBL14558096

SCHEMBL14558096

CC(Cc1cccc(CN(C)C(C)C)c1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.48
▸ PLA2G10 O15496 3/20 0.43
▸ PLA2G2A P14555 3/20 0.43
▸ PLA2G1B P04054 1/20 0.43
▸ PLA2G5 P39877 1/20 0.43
▸ PLA2G2C Q5R387 1/20 0.43
▸ PLA2G12B Q9BX93 1/20 0.43
▸ PLA2G12A Q9BZM1 1/20 0.43
▸ PLA2G2F Q9BZM2 1/20 0.43
▸ PLA2G3 Q9NZ20 1/20 0.43
▸ PLA2G2E Q9NZK7 1/20 0.43
▸ PLA2G2D Q9UNK4 1/20 0.43
▸ TBXAS1 P24557 2/20 0.43
▸ ADRA2B P18089 1/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ OPRK1 P41145 1/20 0.42

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
SCHEMBL14610928 0.88 HPGD (0.50) HPGDPLA2G10PLA2G2APLA2G1BPLA2G5
SCHEMBL8257100 0.85 TBXAS1 (0.53) HPGDPLA2G10PLA2G2APLA2G1BPLA2G5
SCHEMBL14558137 0.84 CYP1A2 (0.47) PLA2G10PLA2G2APPARA
SCHEMBL14558136 0.82 FOLH1 (0.45) HTR2AADRA1ASLC6A3
SCHEMBL26732440 0.81 AKR1B1 (0.46) HPGDADRA2BADRA2CSLC6A2HTR2A
SCHEMBL1124990 0.81 PLA2G10 (0.47) HPGDPLA2G10PLA2G2APLA2G1BPLA2G5
SCHEMBL14558135 0.81 TBXAS1 (0.45) HPGDTBXAS1ADRA2BADRA2CSLC6A2
SCHEMBL22388384 0.80 ADRA2B (0.46) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL14558129 0.80 CYP1A2 (0.40) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL1410876 0.79 PLA2G10 (0.48) HPGDPLA2G10PLA2G2APLA2G1BPLA2G5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 — — US disclosed
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 — — US disclosed
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 — — US 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-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 HPGD 4172/4885PLA2G10 1255/4885PLA2G2A 708/4885

“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.

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