SCHEMBL29375651

SCHEMBL29375651

O=C(NCc1ccncc1)C12CC3CC(CC(C3)C1c1ccc(Cl)cc1)C2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
CYP17A1 P05093 2/20 0.59
CYP19A1 P11511 2/20 0.59
SPHK2 Q9NRA0 2/20 0.57
P2RX7 Q99572 1/20 0.52
HSD11B1 P28845 2/20 0.52
HSD11B2 P80365 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 2/20 0.50
NAMPT P43490 3/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
ALOX12 P18054 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HPGD P15428 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP3A4 P08684 1/20 0.42
MAPK14 Q16539 1/20 0.42

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
SCHEMBL20132767 0.81 ALDH1A1 (0.68) ALDH1A1CYP17A1CYP19A1SPHK2P2RX7
SCHEMBL24713318 0.77 ALDH1A1 (0.68) ALDH1A1CYP17A1CYP19A1SPHK2P2RX7
SCHEMBL1548224 0.75 CYP17A1 (1.00) ALDH1A1CYP17A1CYP19A1SPHK2P2RX7
SCHEMBL23948422 0.75 SPHK2 (0.68) ALDH1A1CYP17A1CYP19A1SPHK2P2RX7
SCHEMBL23246104 0.74 P2RX7 (0.42) ALDH1A1P2RX7HSD11B1HSD11B2SMN1; SMN2
SCHEMBL3318511 0.74 HPGD (0.75) ALDH1A1CYP17A1CYP19A1SPHK2HSD11B1
SCHEMBL19236083 0.74 SPHK2 (0.48) ALDH1A1CYP17A1CYP19A1SPHK2P2RX7
SCHEMBL23948423 0.72 SPHK2 (0.64) ALDH1A1CYP17A1CYP19A1SPHK2P2RX7
Abc-294640 SCHEMBL1548333 0.72 SPHK2 (1.00) ALDH1A1CYP17A1CYP19A1SPHK2P2RX7
Abc-294640 SCHEMBL21116115 0.72 SPHK2 (1.00) ALDH1A1CYP17A1CYP19A1SPHK2P2RX7

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-11364227-B2 Sphingosine kinase 2 inhibitor for treating coronavirus infection REDHILL BIOPHARMA LTD. (IL) 2022-06-21 US disclosed
US-20220031682-A1 SPHINGOSINE KINASE 2 INHIBITOR FOR TREATING CORONAVIRUS INFECTION REDHILL BIOPHARMA LTD (IL) 2022-02-03 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-20220031682-A1 SPHINGOSINE KINASE 2 INHIBITOR FOR TREATING CORONAVIRUS INFECTION SPHK2, SPHK1, S1PR2 ALDH1A1 4164/4885CYP17A1 3033/4885CYP19A1 4539/4885
US-11364227-B2 Sphingosine kinase 2 inhibitor for treating coronavirus infection SPHK2, SPHK1, S1PR2 ALDH1A1 4164/4885CYP17A1 3033/4885CYP19A1 4539/4885

“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.