Sugi Predict

Sugi Predict / Compounds / SCHEMBL18896293

SCHEMBL18896293

SCHEMBL18896293

CCC(C)C(CC#N)c1cccc(S(C)(=O)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ CTSS P25774 3/20 0.38
▸ CTSK P43235 3/20 0.38
▸ CTSL P07711 1/20 0.36
▸ CTSB P07858 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ CNR1 P21554 5/20 0.34
▸ CNR2 P34972 4/20 0.34
▸ ADRA1D P25100 1/20 0.34
▸ DRD2 P14416 1/20 0.33
▸ SLC22A1 O15245 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL19592320 0.89 PSIP1 (0.38) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL169749 0.87 CYP3A4 (0.45) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL22604323 0.83 EPHX2 (0.38) CTSSCTSKCTSLCTSB
SCHEMBL12303961 0.83 CTSS (0.42) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL19592428 0.82 ALDH1A1 (0.40) ALDH1A1CNR1
SCHEMBL12251313 0.78 PSIP1 (0.40) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL19592382 0.77 ALDH1A1 (0.38) SLC6A2SLC6A4SLC6A3CTSBALDH1A1
SCHEMBL19592248 0.77 CNR1 (0.42) CNR1CNR2
SCHEMBL19592271 0.77 CYP3A4 (0.36) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL19592348 0.77 CYP3A4 (0.36) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2023-09-05 — — US disclosed
US-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2022-12-15 — — US disclosed
US-9662335-B2 Heteroaryl substituted pyrrolo[2,3-B] pyridines and pyrrolo[2,3-B] pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2017-05-30 — — 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-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 CYP3A4 2841/4885CYP2D6 1930/4885SLC6A2 4851/4885
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 CYP3A4 2841/4885CYP2D6 1930/4885SLC6A2 4851/4885

“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.