Sugi Predict

Sugi Predict / Compounds / SCHEMBL14112744

SCHEMBL14112744

SCHEMBL14112744

CC[C@H](C)[C@H]1CC[C@H]2[C@H](CC(OC)OC)[C@@H]([C@@]3(C)CCC=CC3=O)CC[C@]12C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 4/20 0.57
▸ GABRA1 P14867 1/20 0.44
▸ GABRB1 P18505 1/20 0.44
▸ GABRG2 P18507 1/20 0.44
▸ GABRB3 P28472 1/20 0.44
▸ GABRA5 P31644 1/20 0.44
▸ GABRA3 P34903 1/20 0.44
▸ GABRA2 P47869 1/20 0.44
▸ GABRA4 P48169 1/20 0.44
▸ CTSD P07339 1/20 0.36
▸ GRIN1 Q05586 3/20 0.35
▸ GRIN2B Q13224 3/20 0.35
▸ PTPN1 P18031 2/20 0.35
▸ NR1H3 Q13133 2/20 0.35
▸ CDC25B P30305 1/20 0.35
▸ USP2 O75604 1/20 0.34
▸ NR1H2 P55055 1/20 0.34
▸ GRIN2A Q12879 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL14112723 0.83 CDC25A (0.79) CDC25AGABRA1GABRB1GABRG2GABRB3
SCHEMBL3134063 0.73 CDC25A (0.78) CDC25AGABRA1GABRB1GABRG2GABRB3
SCHEMBL13630375 0.73 CDC25A (0.78) CDC25AGABRA1GABRB1GABRG2GABRB3
SCHEMBL3134072 0.73 CDC25A (0.78) CDC25AGABRA1GABRB1GABRG2GABRB3
SCHEMBL13521601 0.73 CDC25A (0.78) CDC25AGABRA1GABRB1GABRG2GABRB3
SCHEMBL14112741 0.70 GRIN1 (0.34) CDC25AGRIN1GRIN2BNR1H3GRIN2A
SCHEMBL14112738 0.67 CDC25A (0.44) CDC25AGRIN1GRIN2BCDC25BTDP1
SCHEMBL8764167 0.67 CDC25A (0.46) CDC25ACYP19A1
SCHEMBL14112739 0.65 GRIN1 (0.30) GRIN1GRIN2B
SCHEMBL29336020 0.63 PGR (0.62) GABRA1GABRB1GABRG2GABRB3GABRA5

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
WO-2008089093-A2 EFFICIENT PROCESSES FOR PREPARING STEROIDS AND VITAMIN D DERIVATIVES WITH THE UNNATURAL CONFIGURATION AT C20 (20 ALPHA-METHYL) FROM PREGNENOLONE QUATRX PHARMACEUTICALS COMPANY (US) 2008-07-24 — — WO disclosed
US-20080171728-A1 Efficient Process for Preparing Steroids and Vitamin D Derivatives With the Unnatural Configuration at C20 (20 Alpha-Methyl) from Pregnenolone QUATRX PHARMACEUTICALS CO. 2008-07-17 — — US disclosed
US-20080171728-A1 Efficient Process for Preparing Steroids and Vitamin D Derivatives With the Unnatural Configuration at C20 (20 Alpha-Methyl) from Pregnenolone QUATRX PHARMACEUTICALS CO. 2008-07-17 — — 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 (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-20080171728-A1 Efficient Process for Preparing Steroids and Vitamin D Derivatives With the Unnatural Configuration at C20 (20 Alpha-Methyl) from Pregnenolone CYP2R1, CYP24A1, VDR CDC25A 1501/4885GABRA1 464/4885GABRB1 756/4885

“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.