SCHEMBL21028351

SCHEMBL21028351

CCc1ccc(C(O)(C(F)(F)F)C(F)(F)F)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNJ11 Q14654 16/20 0.54
▸ ABCC9 O60706 7/20 0.54
▸ ABCC8 Q09428 7/20 0.54
▸ KCNJ8 Q15842 7/20 0.54
▸ KDM4E B2RXH2 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ GLA P06280 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ LMNA P02545 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 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
SCHEMBL14593291 0.83 KDM4E (0.66) KCNJ11ABCC9ABCC8KCNJ8KDM4E
SCHEMBL22451771 0.80 ACE2 (0.50) KCNJ11ABCC9ABCC8KCNJ8MEN1
SCHEMBL16852472 0.77 KDM4E (0.54) KCNJ11ABCC9ABCC8KCNJ8KDM4E
SCHEMBL14593292 0.75 KDM4E (0.57) KCNJ11ABCC9ABCC8KCNJ8KDM4E
SCHEMBL5682891 0.74 GABRA1 (0.43) ALDH1A1ATMHTT
SCHEMBL30537735 0.74 GABRA1 (0.43) ALDH1A1ATMHTT
SCHEMBL19606079 0.74 AR (0.44) KCNJ11ABCC9ABCC8KCNJ8MEN1
SCHEMBL17711245 0.73 KDM4E (0.54) KCNJ11ABCC9ABCC8KCNJ8KDM4E
SCHEMBL18077903 0.73 KDM4E (0.54) KCNJ11ABCC9ABCC8KCNJ8KDM4E
SCHEMBL17298377 0.72 KCNJ11 (0.50) KCNJ11ABCC9ABCC8KCNJ8KDM4E

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-10301272-B2 Carboxamide or sulfonamide substituted thiazoles and related derivatives as modulators for the orphan nuclear receptor ROR[γ] PHENEX PHARMACEUTICALS AG (DE) 2019-05-28 — — 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-10301272-B2 Carboxamide or sulfonamide substituted thiazoles and related derivatives as modulators for the orphan nuclear receptor ROR[γ] RORA, RORB, RORC KCNJ11 4190/4885ABCC9 2014/4885ABCC8 1985/4885

“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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