SCHEMBL20008962

SCHEMBL20008962

CC(C)N1CCN(S(=O)(=O)c2ccccc2)C(C)C1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.64
TSHR P16473 2/20 0.59
HSD11B1 P28845 3/20 0.54
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 2/20 0.47
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 1/20 0.46
ACHE P22303 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
PKM P14618 1/20 0.44
USP2 O75604 1/20 0.44
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL26814652 0.78 L3MBTL1 (0.57) L3MBTL1TSHRKMT2AMEN1CYP3A4
SCHEMBL11149733 0.77 L3MBTL1 (0.96) L3MBTL1TSHRKMT2AMEN1CYP3A4
SCHEMBL20012584 0.77 L3MBTL1 (0.64) L3MBTL1TSHRHSD11B1KMT2AMEN1
SCHEMBL4943200 0.77 L3MBTL1 (0.64) L3MBTL1TSHRKMT2AMEN1CYP3A4
SCHEMBL27326127 0.76 L3MBTL1 (0.68) L3MBTL1TSHRKMT2AMEN1CYP3A4
SCHEMBL27395104 0.76 L3MBTL1 (0.68) L3MBTL1TSHRKMT2AMEN1CYP3A4
SCHEMBL27326240 0.76 L3MBTL1 (0.68) L3MBTL1TSHRKMT2AMEN1CYP3A4
SCHEMBL26848353 0.75 L3MBTL1 (0.62) L3MBTL1TSHRKMT2AMEN1CYP3A4
SCHEMBL12794229 0.74 GAA (0.73) TSHRKMT2AALDH1A1PKM
SCHEMBL13725931 0.74 NPSR1 (0.52) L3MBTL1TSHRHSD11B1CYP3A4CYP2C19

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 L3MBTL1 555/4885TSHR 1817/4885HSD11B1 2021/4885
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF SMARCC1, SMARCC2, SMARCA4 L3MBTL1 555/4885TSHR 1817/4885HSD11B1 2021/4885

“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.