SCHEMBL3060223

SCHEMBL3060223

COC(C)(C(N)=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
KMT2A Q03164 1/20 0.52
CYP2C9 P11712 1/20 0.46
DHODH Q02127 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KIF11 P52732 1/20 0.40
PTPN5 P54829 1/20 0.40
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
KCNN4 O15554 2/20 0.39

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
SCHEMBL4554194 0.89 MAPT (0.59) MAPTKMT2AHTTLMNAKCNN4
SCHEMBL29758021 0.77 MAPT (0.57) MAPTKMT2ACYP2C9DHODHSMN1; SMN2
SCHEMBL78396 0.74 MAPT (0.48) MAPTKMT2ACYP2C9DHODHSMN1; SMN2
SCHEMBL5046100 0.74 KCNN4 (0.50) MAPTKMT2AKCNN4
SCHEMBL22722985 0.74 KCNN4 (0.50) MAPTKMT2AKCNN4
SCHEMBL2517938 0.74 KCNN4 (0.50) MAPTKMT2AKCNN4
SCHEMBL2950212 0.72 KCNN4 (0.50) MAPTKMT2ACYP2C9SMN1; SMN2KIF11
SCHEMBL2950210 0.72 KCNN4 (0.50) MAPTKMT2ACYP2C9SMN1; SMN2KIF11
SCHEMBL10710486 0.72 CES1 (0.48) MAPTKMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL10989943 0.71 MAPT (0.55) MAPTKMT2AHTTLMNAKCNN4

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-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-12 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-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection HAVCR2, ZC3HAV1, MAVS MAPT 2483/4885KMT2A 2900/4885CYP2C9 1592/4885

“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.