SCHEMBL16020338

SCHEMBL16020338

CCc1cnc(OC)c(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.53
▸ MEN1 O00255 4/20 0.53
▸ CCR2 P41597 8/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ CCR4 P51679 1/20 0.52
▸ CCR5 P51681 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ RCE1 Q9Y256 1/20 0.45
▸ METAP2 P50579 2/20 0.45
▸ GAA P10253 2/20 0.45

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
SCHEMBL24140018 0.91 KMT2A (0.52) KMT2AMEN1CCR2CYP1A2CYP3A4
SCHEMBL16020329 0.86 CCR2 (0.54) KMT2AMEN1CCR2CYP1A2CYP3A4
SCHEMBL16017569 0.83 CCR2 (0.52) KMT2AMEN1CCR2CYP1A2CYP3A4
SCHEMBL13975944 0.83 CCR2 (0.52) KMT2AMEN1CCR2CYP1A2CYP3A4
SCHEMBL16020309 0.82 ALDH1A1 (0.53) KMT2AMEN1CCR2ALDH1A1KDM4E
SCHEMBL16020358 0.80 LMNA (0.54) KMT2AMEN1CCR2CYP1A2CYP3A4
SCHEMBL24139765 0.79 SLC40A1 (0.56) KMT2AMEN1CYP2C9ALDH1A1METAP2
SCHEMBL24140017 0.77 LMNA (0.51) KMT2AMEN1CCR2CYP1A2CYP3A4
SCHEMBL16017575 0.77 LMNA (0.51) KMT2AMEN1CCR2CYP1A2CYP3A4
SCHEMBL24139998 0.77 WDR5 (0.46) KMT2AMEN1CCR2CYP1A2CYP3A4

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
EP-2710018-B1 MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS FUNDACION CENTRO NAC DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) 2021-12-29 — — EP disclosed
US-20140256717-A1 MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2014-09-11 — — 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-20140256717-A1 MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS PIM1, PIM3, PIM2 KMT2A 1043/4885MEN1 2039/4885CCR2 2790/4885

“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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