SCHEMBL22040486

SCHEMBL22040486

COc1cc(-c2nccs2)ccc1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 1/20 0.60
ALDH1A1 P00352 4/20 0.58
CYP3A4 P08684 2/20 0.58
HSD17B10 Q99714 2/20 0.58
TSHR P16473 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
LOXL2 Q9Y4K0 1/20 0.46
HDAC2 Q92769 1/20 0.46
PDPK1 O15530 1/20 0.43
ADRB2 P07550 1/20 0.43
ECE1 P42892 1/20 0.42
SCN9A Q15858 1/20 0.41
TACR1 P25103 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
HCRTR1 O43613 2/20 0.41
HCRTR2 O43614 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL27409381 0.88 SMPD3 (0.56) SMPD3ALDH1A1CYP3A4LOXL2HDAC2
SCHEMBL15010747 0.81 SMPD3 (0.60) SMPD3TSHRLOXL2PDPK1ADRB2
SCHEMBL1068648 0.80 LOXL2 (0.55) SMPD3ALDH1A1HSD17B10TSHRTDP1
SCHEMBL8234511 0.80 PTGDR2 (0.52) SMPD3LOXL2PDPK1ADRB2ECE1
SCHEMBL26832841 0.79 SMPD3 (0.57) SMPD3LOXL2PDPK1ADRB2ECE1
SCHEMBL1830952 0.79 ALDH1A1 (0.53) SMPD3ALDH1A1CYP3A4HSD17B10TSHR
SCHEMBL22000048 0.78 SMPD3 (0.56) SMPD3LOXL2PDPK1ADRB2ECE1
SCHEMBL8078437 0.78 SMPD3 (0.52) SMPD3ALDH1A1LOXL2HDAC2PDPK1
SCHEMBL11309299 0.77 SMPD3 (0.73) SMPD3ALDH1A1HSD17B10TSHRPDPK1
SCHEMBL1307678 0.76 TUBB4A (0.56) HDAC2MAPT

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-11834449-B2 TYK2 inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-12-05 US disclosed
US-11834449-B2 TYK2 inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-12-05 US disclosed
US-11053241-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2021-07-06 US disclosed
WO-2020112937-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2020-06-04 WO disclosed
US-20200172540-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-06-04 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-11834449-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 SMPD3 3923/4885ALDH1A1 4827/4885CYP3A4 4404/4885
US-11053241-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 SMPD3 3923/4885ALDH1A1 4827/4885CYP3A4 4404/4885
US-20200172540-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 SMPD3 3923/4885ALDH1A1 4827/4885CYP3A4 4404/4885

“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.