SCHEMBL30065632

SCHEMBL30065632

CCS(=O)(=O)c1ccc(CCCOP(=O)(O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.45
S1PR1 P21453 11/20 0.43
S1PR3 Q99500 11/20 0.43
S1PR4 O95977 8/20 0.43
S1PR2 O95136 3/20 0.43
LPAR3 Q9UBY5 3/20 0.42
LPAR1 Q92633 2/20 0.42
LPAR2 Q9HBW0 2/20 0.42
CA2 P00918 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
S1PR5 Q9H228 7/20 0.40
ENPP2 Q13822 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL10891350 0.81 LPAR3 (0.61) S1PR1S1PR3S1PR4S1PR2LPAR3
SCHEMBL23322415 0.76 S1PR1 (0.44) S1PR1S1PR3S1PR4S1PR2LPAR3
SCHEMBL10896043 0.76 L3MBTL1 (0.54) S1PR1S1PR3S1PR4S1PR2LPAR3
SCHEMBL30026758 0.75 CA2 (0.65) PSIP1CA2SMN1; SMN2GAA
SCHEMBL759323 0.75 LMNA (0.53) LPAR1
SCHEMBL10179705 0.75 CA2 (0.69) PSIP1CA2SMN1; SMN2GAA
SCHEMBL96074 0.74 CA2 (0.66) PSIP1CA2SMN1; SMN2GAA
SCHEMBL28362924 0.73 ALDH1A1 (0.54) S1PR1S1PR3S1PR4S1PR2LPAR1
SCHEMBL10896156 0.72 THRA (0.52) S1PR1S1PR3S1PR4S1PR2LPAR3
SCHEMBL10791731 0.72 ALDH1A1 (0.41) CA2SMN1; SMN2GAA

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-20230067159-A1 ROR-GAMMA-T INHIBITOR, PREPARATION METHOD THEREOF AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2023-03-02 US disclosed
EP-4089079-A1 ROR GAMMA T INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2022-11-16 EP 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 (1 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-20230067159-A1 ROR-GAMMA-T INHIBITOR, PREPARATION METHOD THEREOF AND USE THEREOF RORC, RORB, RORA PSIP1 1856/4885S1PR1 570/4885S1PR3 771/4885

“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.