SCHEMBL12189943

SCHEMBL12189943

C=C(Br)C(=O)Nc1c(C)c(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)c(C)c(S(=O)(=O)O)c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GNG2 P59768 5/20 0.55
▸ GNB1 P62873 5/20 0.55
▸ PHLPP2 Q6ZVD8 2/20 0.55
▸ P2RY4 P51582 7/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ HPGD P15428 3/20 0.48
▸ MAPK1 P28482 3/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ ALOX15 P16050 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ P2RY1 P47900 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ NSD2 O96028 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ THRB P10828 2/20 0.47

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
SCHEMBL12974455 0.91 PHLPP2 (0.55) GNG2GNB1PHLPP2P2RY4ALDH1A1
SCHEMBL8021024 0.85 GNG2 (0.64) GNG2GNB1PHLPP2P2RY4ALDH1A1
SCHEMBL14355357 0.84 GNG2 (0.62) GNG2GNB1PHLPP2P2RY4ALDH1A1
SCHEMBL18493688 0.80 GNG2 (0.60) GNG2GNB1PHLPP2P2RY4ALDH1A1
SCHEMBL8632381 0.80 GNG2 (0.57) GNG2GNB1PHLPP2P2RY4ALDH1A1
SCHEMBL9844573 0.80 GNG2 (0.61) GNG2GNB1PHLPP2P2RY4ALDH1A1
SCHEMBL12172884 0.79 GNG2 (0.61) GNG2GNB1PHLPP2P2RY4ALDH1A1
SCHEMBL11319865 0.79 GNG2 (0.64) GNG2GNB1PHLPP2P2RY4ALDH1A1
SCHEMBL11249954 0.79 PHLPP2 (0.49) GNG2GNB1PHLPP2P2RY4ALDH1A1
SCHEMBL30371545 0.79 GNG2 (0.60) GNG2GNB1PHLPP2P2RY4ALDH1A1

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 GNG2 937/4885GNB1 890/4885PHLPP2 1070/4885

“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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