SCHEMBL20073684

SCHEMBL20073684

CC(C)c1ccc(N2CCC2)cc1N(C)S(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 3/20 0.40
TSHR P16473 2/20 0.40
HTR6 P50406 2/20 0.36
LMNA P02545 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
ADRB3 P13945 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
POLB P06746 1/20 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
SCHEMBL26544208 0.97 TSHR (0.40) TYK2TSHRHTR6LMNAHSP90AA1
SCHEMBL24498567 0.96 TSHR (0.39) TYK2TSHRHTR6LMNAMEN1
SCHEMBL24498232 0.88 MAPT (0.40) TSHRLMNASMN1; SMN2MAPTALDH1A1
SCHEMBL20230888 0.85 TYK2 (0.37) TYK2TSHRADRB3
SCHEMBL20073418 0.80 LMNA (0.44) TYK2TSHRHTR6LMNAMEN1
SCHEMBL20073647 0.79 TYK2 (0.41) TYK2TSHRHTR6LMNAADRB3
SCHEMBL26511011 0.78 MEN1 (0.46) TYK2TSHRHTR6LMNAMEN1
SCHEMBL20092297 0.78 TYK2 (0.48) TYK2TSHRHTR6LMNAADRB3
SCHEMBL24498535 0.77 MEN1 (0.48) TYK2TSHRHTR6LMNAMEN1
SCHEMBL24497504 0.76 TSHR (0.40) TYK2TSHRHTR6LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3848370-A2 TYK2 INHIBITORS AND USES THEREOF Nimbus Lakshmi, Inc. (US) 2021-07-14 EP disclosed
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-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
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
WO-2018071794-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2018-04-19 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 (4 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 TYK2 1/4885TSHR 1652/4885HTR6 3083/4885
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TYK2 1/4885TSHR 1652/4885HTR6 3083/4885
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TYK2 1/4885TSHR 1652/4885HTR6 3083/4885
US-10647713-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 TYK2 1/4885TSHR 1652/4885HTR6 3083/4885

“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.