SCHEMBL20150130

SCHEMBL20150130

CC(C)c1ccccc1P(C)(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.43
GABRB2 P47870 2/20 0.43
LMNA P02545 2/20 0.39
FAAH O00519 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
GABRB1 P18505 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2C P28335 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
HTR2B P41595 1/20 0.39
GABRA2 P47869 1/20 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
SCHEMBL8861265 0.84 GABRA1 (0.44) GABRA1GABRB2LMNAFAAHGABRG2
SCHEMBL3787042 0.81 ESR1 (0.48) GABRA1GABRB2LMNAFAAHGABRG2
SCHEMBL1099174 0.80 GABRA1 (0.46) GABRA1GABRB2LMNAFAAHGABRG2
SCHEMBL3174373 0.78 GABRA1 (0.40) GABRA1GABRB2LMNAFAAHGABRG2
SCHEMBL3398361 0.78 GABRA1 (0.40) GABRA1GABRB2LMNAFAAHGABRG2
SCHEMBL3398365 0.78 GABRA1 (0.45) GABRA1GABRB2LMNAFAAHGABRG2
SCHEMBL14023438 0.77 ESR1 (0.39) CA2HPGDTSHRKMT2AL3MBTL1
SCHEMBL134288 0.77 ALDH1A1 (0.42) GABRA1GABRB2LMNAFAAHGABRG2
SCHEMBL20338459 0.75 GABRA1 (0.38) GABRA1GABRB2LMNAFAAHGABRG2
SCHEMBL12016990 0.75 GABRA1 (0.33) GABRA1GABRB2LMNAFAAHGABRG2

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 GABRA1 2223/4885GABRB2 2555/4885LMNA 2078/4885
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 GABRA1 2223/4885GABRB2 2555/4885LMNA 2078/4885
US-10647713-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 GABRA1 2223/4885GABRB2 2555/4885LMNA 2078/4885

“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.