SCHEMBL2380001

SCHEMBL2380001

CCCCCCCCCCCCCCCCOC(CC)OP(=O)(O)O

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.62
LPAR3 Q9UBY5 11/20 0.53
LPAR1 Q92633 7/20 0.53
LPAR2 Q9HBW0 7/20 0.53
LPAR5 Q9H1C0 1/20 0.45
PTPN1 P18031 1/20 0.43
FDPS P14324 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
SCHEMBL29026490 1.00 SMPD1 (0.62) SMPD1LPAR3LPAR1LPAR2LPAR5
SCHEMBL29026432 1.00 SMPD1 (0.62) SMPD1LPAR3LPAR1LPAR2LPAR5
SCHEMBL29026469 1.00 SMPD1 (0.62) SMPD1LPAR3LPAR1LPAR2LPAR5
SCHEMBL29026512 1.00 SMPD1 (0.62) SMPD1LPAR3LPAR1LPAR2LPAR5
SCHEMBL21291922 1.00 SMPD1 (0.62) SMPD1LPAR3LPAR1LPAR2LPAR5
SCHEMBL2049378 0.93 SMPD1 (0.56) SMPD1LPAR3LPAR1LPAR2LPAR5
SCHEMBL21291944 0.89 SMPD1 (0.49) SMPD1LPAR3LPAR1LPAR2LPAR5
SCHEMBL2379992 0.85 SMPD1 (0.43) SMPD1LPAR3LPAR1LPAR2
SCHEMBL2048023 0.85 SMPD1 (0.50) SMPD1LPAR3LPAR1LPAR2LPAR5
SCHEMBL21291940 0.84 SMPD1 (0.51) SMPD1LPAR3LPAR1LPAR2LPAR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111051325-B Spirothiocyclobutane nucleosides 詹森药业有限公司 2023-05-16 CN disclosed
US-20210139524-A1 SPIROTHIETANE NUCLEOSIDES JANSSEN PHARMACEUTICA NV (BE) 2021-05-13 US disclosed
EP-3676276-A1 SPIROTHIETANE NUCLEOSIDES Janssen Pharmaceutica NV (BE) 2020-07-08 EP disclosed
CN-111051325-A Spirothiacyclobutanenucleosides 詹森药业有限公司 2020-04-21 CN disclosed
WO-2019043177-A1 SPIROTHIETANE NUCLEOSIDES JANSSEN PHARMACEUTICA NV (BE) 2019-03-07 WO disclosed
US-8017135-B1 Lipid-drug conjugates for local therapy of eye diseases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-09-13 US disclosed
US-20090156545-A1 Substituted Phosphate Esters of Nucleoside Phosphonates THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2009-06-18 US disclosed
WO-2006130217-A2 SUBSTITUTED PHOSPHATE ESTERS OF NUCLEOSIDE PHOSPHONATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-12-07 WO 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-20090156545-A1 Substituted Phosphate Esters of Nucleoside Phosphonates PNP, TYMP, ENPP1 SMPD1 343/4885LPAR3 2076/4885LPAR1 1954/4885
US-20210139524-A1 SPIROTHIETANE NUCLEOSIDES SAMHD1, SLC28A1, SLC28A2 SMPD1 478/4885LPAR3 2937/4885LPAR1 3590/4885

“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.