SCHEMBL12173008

SCHEMBL12173008

CCN(CC)c1ccc2c(-c3ccc(NC(=O)c4cc(S(=O)(=O)F)ccc4C(=O)O)cc3C(=O)O)c3ccc(=[N+](CC)CC)cc-3oc2c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.57
▸ USP2 O75604 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ PPARG P37231 1/20 0.57
▸ BLM P54132 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ RXFP1 Q9HBX9 1/20 0.57
▸ NCOR2 Q9Y618 1/20 0.57
▸ TLR7 Q9NYK1 1/20 0.51
▸ AVPR2 P30518 4/20 0.50
▸ CA9 Q16790 6/20 0.48
▸ CA1 P00915 5/20 0.48
▸ CA2 P00918 5/20 0.48
▸ CA12 O43570 4/20 0.48
▸ FPR2 P25090 4/20 0.44
▸ TGM2 P21980 1/20 0.44
▸ CHRM1 P11229 1/20 0.43
▸ CA14 Q9ULX7 2/20 0.43

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
SCHEMBL13815111 0.97 MEN1 (0.57) MEN1USP2POLBPPARGBLM
SCHEMBL24076836 0.85 MEN1 (0.55) MEN1USP2POLBPPARGBLM
SCHEMBL24076838 0.84 MEN1 (0.54) MEN1USP2POLBPPARGBLM
SCHEMBL16253380 0.80 MEN1 (0.60) MEN1USP2POLBPPARGBLM
SCHEMBL11964672 0.80 MEN1 (0.60) MEN1USP2POLBPPARGBLM
SCHEMBL13428310 0.80 USP2 (0.59) MEN1USP2POLBPPARGBLM
SCHEMBL29593395 0.79 MEN1 (0.61) MEN1USP2POLBPPARGBLM
SCHEMBL3903552 0.79 MEN1 (0.61) MEN1USP2POLBPPARGBLM
Hydrochloric Acid SCHEMBL29442119 0.79 USP2 (0.59) MEN1USP2POLBPPARGBLM
Hydrochloric Acid SCHEMBL18617 0.79 MEN1 (0.60) MEN1USP2POLBPPARGBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9403987-B2 Charged particles BASF SE (DE) 2016-08-02 — — US disclosed
US-20120229884-A1 CHARGED PARTICLES BASF SE (DE) 2012-09-13 — — 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-20120229884-A1 CHARGED PARTICLES POLE3, POLD3, IPO4 MEN1 2903/4885USP2 3518/4885POLB 210/4885

“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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