SCHEMBL22003589

SCHEMBL22003589

CC(C1CCCCC1)C(S)c1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.45
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
ALDH1A1 P00352 4/20 0.43
TSHR P16473 2/20 0.43
CYP2C9 P11712 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
KDM4E B2RXH2 2/20 0.41
CFTR P13569 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
GOPC Q9HD26 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL3686055 0.78 CYP11B2 (0.49) CYP11B2CYP3A4CYP2D6CYP2C19CYP1A2
SCHEMBL10983034 0.77 GAA (0.65) CYP11B2CYP3A4CYP2D6CYP2C19CYP1A2
SCHEMBL8909655 0.77 CYP11B2 (0.47) CYP11B2CYP3A4CYP2D6CYP2C19CYP1A2
SCHEMBL16408188 0.75 SMN1; SMN2 (0.52) CYP11B2CYP3A4CYP2D6CYP2C19CYP1A2
SCHEMBL7407401 0.73 CYP11B2 (0.44) CYP11B2CYP3A4CYP2D6CYP2C19CYP1A2
SCHEMBL8909681 0.73 CYP11B2 (0.44) CYP11B2CYP3A4CYP2D6CYP2C19CYP1A2
SCHEMBL177612 0.73
SCHEMBL18632698 0.73
SCHEMBL19310680 0.73 SLC6A4 (0.46) CYP11B2CYP3A4CYP2D6CYP2C19CYP1A2
SCHEMBL6583550 0.71 GAA (0.56) CYP3A4CYP2D6CYP2C19CYP1A2ALDH1A1

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-11345699-B2 Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2022-05-31 US disclosed
US-20200157095-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2020-05-21 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-11345699-B2 Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof BAD, AIFM1, BCL2 CYP11B2 830/4885CYP3A4 4168/4885CYP2D6 4365/4885
US-20200157095-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF BAD, AIFM1, BCL2 CYP11B2 830/4885CYP3A4 4168/4885CYP2D6 4365/4885

“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.