SCHEMBL22403935

SCHEMBL22403935

COCCCCCCC1CCc2cc([C@H](CN)CCCCO)ccc2C1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 14/20 0.45
SGPL1 O95470 7/20 0.45
S1PR4 O95977 1/20 0.45
S1PR5 Q9H228 1/20 0.45
CYP3A4 P08684 2/20 0.41
CYP2C8 P10632 2/20 0.41
S1PR3 Q99500 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL18507218 1.00 S1PR1 (0.45) S1PR1SGPL1S1PR4S1PR5CYP3A4
SCHEMBL18507191 1.00 S1PR1 (0.45) S1PR1SGPL1S1PR4S1PR5CYP3A4
SCHEMBL25862337 0.99 S1PR1 (0.45) S1PR1SGPL1S1PR4S1PR5CYP3A4
SCHEMBL22404264 0.97 S1PR1 (0.46) S1PR1SGPL1S1PR4S1PR5CYP3A4
SCHEMBL22404195 0.96 SGPL1 (0.47) S1PR1SGPL1S1PR4S1PR5CYP3A4
SCHEMBL22404140 0.93 S1PR1 (0.42) S1PR1SGPL1S1PR4S1PR5CYP3A4
SCHEMBL23369054 0.89 S1PR1 (0.45) S1PR1SGPL1S1PR4S1PR5CYP3A4
SCHEMBL23368712 0.89 S1PR1 (0.45) S1PR1SGPL1S1PR4S1PR5CYP3A4
SCHEMBL22404170 0.88 S1PR1 (0.45) S1PR1SGPL1
SCHEMBL23368732 0.88 S1PR1 (0.44) S1PR1SGPL1S1PR4S1PR5CYP3A4

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-11701373-B2 Substituted bicyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-07-18 US disclosed
US-11058696-B2 Substituted bicyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-13 US disclosed
US-20200281952-A1 SUBSTITUTED BICYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-09-10 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 (3 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-20200281952-A1 SUBSTITUTED BICYCLIC COMPOUNDS S1PR1, S1PR3, S1PR2 S1PR1 1/4885SGPL1 75/4885S1PR4 4/4885
US-11701373-B2 Substituted bicyclic compounds S1PR1, S1PR3, S1PR2 S1PR1 1/4885SGPL1 75/4885S1PR4 4/4885
US-11058696-B2 Substituted bicyclic compounds S1PR1, S1PR3, S1PR2 S1PR1 1/4885SGPL1 75/4885S1PR4 4/4885

“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.