SCHEMBL12801807

SCHEMBL12801807

Cc1c(Cl)cccc1Nc1ccccc1C(=O)NCCCC(C(=O)O)N1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MT-CO2 P00403 16/20 0.48
▸ PTGS1 P23219 2/20 0.47
▸ PTGS2 P35354 3/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TTR P02766 1/20 0.46
▸ PLA2G1B P04054 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ PGR P06401 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ HTR1A P08908 1/20 0.46
▸ ADRA2A P08913 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ AR P10275 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46

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
SCHEMBL16386151 0.94 MT-CO2 (0.43) MT-CO2PTGS1PTGS2MEN1USP2
SCHEMBL12801456 0.80 RXFP1 (0.50) LMNACYP1A2MAPTCYP2C9CYP2C19
SCHEMBL12801660 0.77 APP (0.49) MT-CO2PTGS1PTGS2USP2LMNA
SCHEMBL18752850 0.75 RXFP1 (0.45) LMNACYP1A2MAPTCYP2C9CYP2C19
SCHEMBL18752947 0.72 APP (0.47) MT-CO2PTGS1PTGS2USP2LMNA
SCHEMBL16386398 0.72 APP (0.47) MT-CO2PTGS1PTGS2USP2LMNA
SCHEMBL12801457 0.70 LMNA (0.54) PTGS1PTGS2MEN1USP2LMNA
SCHEMBL12732823 0.70 GLI1 (0.52) PTGS1PTGS2MEN1LMNACYP1A2
SCHEMBL12608897 0.69 MT-CO2 (0.61) MT-CO2PTGS1PTGS2MEN1USP2
SCHEMBL10310894 0.67 MT-CO2 (0.60) MT-CO2PTGS1PTGS2MEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092806-A1 Compounds Comprising a Biological Target Recognizing Part, Coupled to a Signal Part Capable of Complexing Gallium GUEREBET (FR) 2011-04-21 — — 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-20110092806-A1 Compounds Comprising a Biological Target Recognizing Part, Coupled to a Signal Part Capable of Complexing Gallium KLK3, IGF1R, GIPR MT-CO2 4045/4885PTGS1 4576/4885PTGS2 4357/4885

“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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