SCHEMBL13408974

SCHEMBL13408974

CCOC(=O)[C@@H]1C[C@H](S)CN1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 2/20 0.38
▸ NR1H2 P55055 2/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ NFKB1 P19838 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ CHRM2 P08172 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.33
▸ P2RX3 P56373 1/20 0.33
▸ PTPN1 P18031 1/20 0.32

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
SCHEMBL24358311 0.88 FKBP1A (0.42) FKBP1ANR1H2CYP1A2POLBCYP3A4
SCHEMBL7728453 0.84 FKBP1A (0.39) FKBP1ANR1H2CYP1A2POLBCYP3A4
SCHEMBL9731413 0.84 FKBP1A (0.39) FKBP1ANR1H2CYP1A2POLBCYP3A4
SCHEMBL116396 0.84 POLB (0.50) FKBP1ANR1H2CYP1A2POLBCYP3A4
SCHEMBL3041685 0.84 POLB (0.50) FKBP1ANR1H2CYP1A2POLBCYP3A4
SCHEMBL2202494 0.84 POLB (0.50) FKBP1ANR1H2CYP1A2POLBCYP3A4
SCHEMBL16104864 0.84 CYP1A2 (0.40) FKBP1ANR1H2CYP1A2POLBCYP3A4
SCHEMBL9636968 0.84 FKBP1A (0.39) FKBP1ANR1H2CYP1A2POLBCYP3A4
SCHEMBL9635522 0.84 POLB (0.50) FKBP1ANR1H2CYP1A2POLBCYP3A4
SCHEMBL7811172 0.84 CYP1A2 (0.40) FKBP1ANR1H2CYP1A2POLBCYP3A4

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-20100105685-A1 S-Nitrosothiol Compounds and Related Derivatives GALLEON PHARMACEUTICALS, INC. 2010-04-29 — — US disclosed
WO-2009151744-A1 S-NITROSOMERCAPTO COMPOUNDS AND RELATED DERIVATIVES GALLEON PHARMACEUTICALS, INC. (US) 2009-12-17 — — 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 (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-20100105685-A1 S-Nitrosothiol Compounds and Related Derivatives NNMT, BHMT2, SQOR FKBP1A 1689/4885NR1H2 834/4885CYP1A2 338/4885

“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.

Send feedback