SCHEMBL14297372

SCHEMBL14297372

COC(=O)[C@@H]1C2C3C4CC5C2C5C(C43)[C@@H]1C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PPM1B O75688 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ PPP1CC P36873 1/20 0.39
▸ CHRNB2 P17787 2/20 0.38
▸ CHRNA4 P43681 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CHRNB4 P30926 1/20 0.38
▸ CHRNA3 P32297 1/20 0.38
▸ CHRNA7 P36544 1/20 0.38
▸ SLC6A3 Q01959 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL13974796 0.92 PPM1B (0.47) PPM1BPTPN1PPP1CCCHRNB2CHRNA4
SCHEMBL14297376 0.87 PPM1B (0.47) PPM1BPTPN1PPP1CCCHRNB2CHRNA4
SCHEMBL21944022 0.86 PPM1B (0.39) PPM1BPTPN1PPP1CCCHRNB2CHRNA4
SCHEMBL12732732 0.82 PPM1B (0.43) PPM1BPTPN1PPP1CCCHRNB2CHRNA4
SCHEMBL24404660 0.80 PPM1B (0.42) PPM1BPTPN1PPP1CCCHRNB2CHRNA4
SCHEMBL21943781 0.77 PPM1B (0.41) PPM1BPTPN1PPP1CCCHRNB2CHRNA4
SCHEMBL13517982 0.76 CYP2C19 (0.42) PPM1BPTPN1PPP1CCCHRNB2CHRNA4
SCHEMBL29488848 0.74 PPM1B (0.52) PPM1BPTPN1PPP1CCCHRNB2CHRNA4
SCHEMBL12732743 0.74 PPM1B (0.52) PPM1BPTPN1PPP1CCCHRNB2CHRNA4
SCHEMBL18906445 0.74 MEN1 (0.46) PPM1BPTPN1PPP1CCCHRNB2CHRNA4

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-20120321590-A1 BRIDGED POLYCYCLIC COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2012-12-20 — — US disclosed
US-20120321590-A1 BRIDGED POLYCYCLIC COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2012-12-20 — — 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-20120321590-A1 BRIDGED POLYCYCLIC COMPOUNDS HCCS, HAVCR2, SLC10A1 PPM1B 2733/4885PTPN1 4555/4885PPP1CC 3559/4885

“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.

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