SCHEMBL20150118

SCHEMBL20150118

CCc1ccc(C(C)C)c(S(C)(=O)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.47
SLC9A2 Q9UBY0 1/20 0.47
MAPT P10636 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.37
CYP2A6 P11509 1/20 0.37
TP53 P04637 1/20 0.36
CA2 P00918 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TRPA1 O75762 1/20 0.34
EDNRB P24530 3/20 0.34

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
SCHEMBL8007941 0.84 SLC9A1 (0.49) SLC9A1SLC9A2L3MBTL1CA2
SCHEMBL20073678 0.77 EDNRB (0.47) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL11962360 0.76 SLC9A1 (0.50) SLC9A1SLC9A2ALDH1A1LMNAL3MBTL1
SCHEMBL10960736 0.76 TRPA1 (0.57) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL11951611 0.76 SLC9A1 (0.50) SLC9A1SLC9A2ALDH1A1LMNASMN1; SMN2
SCHEMBL9735709 0.75 CYP1A2 (0.43) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL19237508 0.74 SLC9A1 (0.49) SLC9A1SLC9A2LMNASMN1; SMN2CA2
SCHEMBL12868967 0.74 SLC9A1 (0.49) SLC9A1SLC9A2L3MBTL1
SCHEMBL15281022 0.74 SLC9A1 (0.49) SLC9A1SLC9A2RAB9AALDH1A1LMNA
SCHEMBL24247196 0.74 SLC9A1 (0.38) SLC9A1SLC9A2ALDH1A1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 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 (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-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 SLC9A1 4806/4885SLC9A2 4741/4885MAPT 1236/4885
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 SLC9A1 4806/4885SLC9A2 4741/4885MAPT 1236/4885

“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.