SCHEMBL20008960

SCHEMBL20008960

CC(C)N1CCN(S(C)(=O)=O)C(Cc2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.53
CA2 P00918 6/20 0.53
CA4 P22748 6/20 0.53
CA9 Q16790 6/20 0.53
KCNH2 Q12809 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
TSHR P16473 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MCL1 Q07820 1/20 0.42
CHRM1 P11229 1/20 0.39
FNTA P49354 4/20 0.38
FNTB P49356 4/20 0.38

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
SCHEMBL26241074 0.82 CA1 (0.56) CA1CA2CA4CA9
SCHEMBL15625954 0.81 CA1 (0.53) CA1CA2CA4CA9FNTA
SCHEMBL3492600 0.80 CA1 (0.54) CA1CA2CA4CA9
SCHEMBL20012682 0.80 CA1 (0.54) CA1CA2CA4CA9
SCHEMBL13858916 0.79 KCNH2 (0.47) CA1CA2CA4CA9KCNH2
SCHEMBL20841376 0.79 KCNH2 (0.47) KCNH2HRH3KDM4E
SCHEMBL19369169 0.76 TP53 (0.34)
SCHEMBL20841308 0.76 KCNH2 (0.45) KCNH2HRH3
SCHEMBL20009039 0.76 ABCB1 (0.58) CA1CA2CA4CA9KCNH2
SCHEMBL20008966 0.76 ABCB1 (0.58) CA1CA2CA4CA9KCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10308614-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-06-04 US disclosed
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-03-29 US disclosed
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-03-29 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 (2 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-10308614-B2 Therapeutic compounds and uses thereof SMARCC1, SMARCC2, SMARCA4 CA1 4151/4885CA2 3302/4885CA4 4108/4885
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF SMARCC1, SMARCC2, SMARCA4 CA1 4151/4885CA2 3302/4885CA4 4108/4885

“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.