SCHEMBL22096471

SCHEMBL22096471

CCCCCCN1CCC(C)(O)CC1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.60
S1PR3 Q99500 2/20 0.60
S1PR5 Q9H228 2/20 0.60
S1PR4 O95977 1/20 0.54
GNAI3 P08754 3/20 0.50
GNAO1 P09471 3/20 0.50
GNAI1 P63096 3/20 0.50
SIGMAR1 Q99720 3/20 0.45
GUSB P08236 2/20 0.44

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
SCHEMBL22096478 1.00 S1PR1 (0.60) S1PR1S1PR3S1PR5S1PR4GNAI3
SCHEMBL19606301 1.00 S1PR1 (0.60) S1PR1S1PR3S1PR5S1PR4GNAI3
SCHEMBL23168673 0.89 S1PR1 (0.59) S1PR1S1PR3S1PR5S1PR4GNAI3
SCHEMBL20858257 0.83 S1PR1 (0.54) S1PR1S1PR3S1PR5S1PR4GNAI3
SCHEMBL4550235 0.83 KDM4E (0.43) S1PR1S1PR3S1PR5S1PR4SIGMAR1
SCHEMBL19604907 0.82 S1PR1 (0.42) S1PR1S1PR3S1PR5S1PR4GNAI3
SCHEMBL24179174 0.81 S1PR1 (0.51) S1PR1S1PR3S1PR5S1PR4GNAI3
SCHEMBL19710571 0.81 S1PR1 (0.57) S1PR1S1PR3S1PR5S1PR4GNAI3
SCHEMBL19604912 0.80 S1PR1 (0.51) S1PR1S1PR3S1PR5S1PR4GNAI3
SCHEMBL26748967 0.79 S1PR1 (0.44) S1PR1S1PR3S1PR5S1PR4GNAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018017-B2 Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2024-06-25 US disclosed
US-20230174515-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARM INC (US) 2023-06-08 US disclosed
US-11560368-B2 Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2023-01-24 US disclosed
US-10683279-B2 Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-06-16 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 (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-11560368-B2 Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof BAD, CASP1, BAX S1PR1 462/4885S1PR3 747/4885S1PR5 860/4885
US-12018017-B2 Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof BAD, CASP1, BAX S1PR1 462/4885S1PR3 747/4885S1PR5 860/4885
US-10683279-B2 Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof BAD, CASP1, BAX S1PR1 462/4885S1PR3 747/4885S1PR5 860/4885
US-20230174515-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF BAD, CASP1, BAX S1PR1 462/4885S1PR3 747/4885S1PR5 860/4885

“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.