SCHEMBL20150204

SCHEMBL20150204

CN(c1cc(C2CCCCC2)ccc1N)S(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.43
BACE1 P56817 1/20 0.38
TYK2 P29597 3/20 0.38
LMNA P02545 3/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HDAC1 Q13547 3/20 0.36
HDAC2 Q92769 3/20 0.36
HTT P42858 1/20 0.36
ACMSD Q8TDX5 1/20 0.36
MAPT P10636 2/20 0.35
HSP90AA1 P07900 1/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL20073548 0.96 CYP19A1 (0.39) CYP19A1BACE1TYK2HDAC1HDAC2
SCHEMBL20093009 0.93 TYK2 (0.42) CYP19A1TYK2KMT2AHDAC1HDAC2
SCHEMBL29686281 0.93 TYK2 (0.42) CYP19A1TYK2KMT2AHDAC1HDAC2
SCHEMBL20150174 0.86 TYK2 (0.46) CYP19A1TYK2SMN1; SMN2
SCHEMBL20073547 0.84 TYK2 (0.48) CYP19A1TYK2
Hydrochloric Acid SCHEMBL28320482 0.80 BACE1 (0.43) BACE1KMT2AHDAC1HDAC2ACMSD
SCHEMBL20093193 0.80 TYK2 (0.49) CYP19A1TYK2
SCHEMBL20230844 0.79 GAA (0.40) CYP19A1TYK2LMNAKMT2ASMN1; SMN2
SCHEMBL24498494 0.78 HDAC1 (0.35) TYK2HDAC1HDAC2
SCHEMBL29686947 0.78 HDAC1 (0.35) TYK2HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210094948-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-01 US disclosed
US-10647713-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2020-05-12 US disclosed
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-17 US disclosed
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-17 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 (3 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-20210094948-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CYP19A1 2724/4885BACE1 4408/4885TYK2 1/4885
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CYP19A1 2724/4885BACE1 4408/4885TYK2 1/4885
US-10647713-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 CYP19A1 2724/4885BACE1 4408/4885TYK2 1/4885

“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.