SCHEMBL9261780

SCHEMBL9261780

CC(C)c1ccc(Cl)c(-c2cccc(C(C)(C)C)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTPN5 P54829 5/20 0.46
▸ KIF11 P52732 1/20 0.41
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ LMNA P02545 1/20 0.36
▸ AKR1C3 P42330 2/20 0.36
▸ AKR1C2 P52895 2/20 0.36
▸ AHR P35869 1/20 0.33

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
SCHEMBL9260942 0.81 KIF11 (0.46) KIF11RXRARXRB
SCHEMBL24721274 0.79 PTPN5 (0.42) PTPN5KIF11RXRARXRB
SCHEMBL25583367 0.79 AKR1C3 (0.56) PTPN5KIF11LMNAAKR1C3AKR1C2
SCHEMBL13524519 0.79 CYP2A6 (0.48) PTPN5KIF11RXRARXRBLMNA
SCHEMBL22488082 0.77 LMNA (0.53) LMNAAKR1C3AKR1C2
SCHEMBL9254405 0.77 AKR1C3 (0.57) PTPN5KIF11AKR1C3AKR1C2
SCHEMBL9289288 0.76 PTGS2 (0.47) PTPN5LMNA
SCHEMBL598661 0.74 KIF11 (0.49) PTPN5KIF11RXRARXRBLMNA
SCHEMBL18713819 0.73 KIF11 (0.41) PTPN5KIF11RXRARXRB
SCHEMBL9263214 0.72 KIF11 (0.47) PTPN5KIF11RXRARXRBAHR

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-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND SHIONOGI & CO., LTD. (JP) 2012-05-31 — — 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-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND BACE1, STS, APP PTPN5 1848/4885KIF11 3917/4885RXRA 4297/4885

“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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