SCHEMBL20092385

SCHEMBL20092385

CP(C)(=O)c1cc(O)ccc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 3/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
ESR1 P03372 2/20 0.36
ALDH1A1 P00352 5/20 0.35
CYP3A4 P08684 3/20 0.35
ALOX15 P16050 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
THRB P10828 2/20 0.35
HIF1A Q16665 2/20 0.35
RECQL P46063 1/20 0.35
ESR2 Q92731 2/20 0.34
GFER P55789 1/20 0.33
LNPEP Q9UIQ6 1/20 0.33
HSD17B10 Q99714 3/20 0.32
CASP1 P29466 2/20 0.32
CA3 P07451 1/20 0.32

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
SCHEMBL23153936 0.77 TDP1 (0.50) CA1ALDH1A1CYP3A4ALOX15TDP1
SCHEMBL29878005 0.77 TDP1 (0.50) CA1ALDH1A1CYP3A4ALOX15TDP1
SCHEMBL24073372 0.77 HPGD (0.33) CYP3A4ALOX15TDP1THRBHPGD
SCHEMBL23153756 0.75 KDM4E (0.42) CA14CA12CA1CA2CA7
SCHEMBL24073774 0.75 CYP3A4 (0.48) ALDH1A1CYP3A4ALOX15TDP1RECQL
SCHEMBL18812816 0.75 ALDH1A1 (0.46) CA14CA12CA1CA2CA7
SCHEMBL24781081 0.75
SCHEMBL25987283 0.75
SCHEMBL29172312 0.75 CDC25B (0.49) CA14CA12CA1CA2CA7
SCHEMBL23154069 0.75 ENPP2 (0.38) CA1CA2ALDH1A1KDM4E

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 5 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
WO-2018075937-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2018-04-26 WO 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 CA14 4867/4885CA12 4833/4885CA1 4879/4885
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CA14 4867/4885CA12 4833/4885CA1 4879/4885
US-10647713-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 CA14 4867/4885CA12 4833/4885CA1 4879/4885

“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.