SCHEMBL19177682

SCHEMBL19177682

COC(=O)C1C(C(=O)N2CCNCC2)[C@@H]2C=C[C@H]1O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNA3 P32297 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ CHRNB3 Q05901 1/20 0.40
▸ CHRNA6 Q15825 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PPM1B O75688 2/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ PPP1CC P36873 1/20 0.33
▸ TFPI2 P48307 1/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TPSAB1 Q15661 1/20 0.31
▸ TPSD1 Q9BZJ3 1/20 0.31

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
SCHEMBL9880176 0.85 TSHR (0.42) TSHRATMSMN1; SMN2PPM1BPTPN1
SCHEMBL9880160 0.84 TSHR (0.54) TSHRATMSMN1; SMN2PPM1BPTPN1
SCHEMBL21360341 0.82 TFPI2 (0.45) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL9880144 0.82 TFPI2 (0.45) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL13001974 0.81 CHRNB2 (0.43) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL26377916 0.78 PPM1B (0.55) TSHRATMCHRNB2CHRNA3CHRNA4
SCHEMBL2005428 0.78 PPM1B (0.44) TSHRPPM1BPTPN1PPP1CCMEN1
SCHEMBL2002666 0.78 PPM1B (0.44) TSHRPPM1BPTPN1PPP1CCMEN1
SCHEMBL9696402 0.78 PPM1B (0.44) TSHRPPM1BPTPN1PPP1CCMEN1
SCHEMBL23280362 0.72 CHRNB2 (0.47) TSHRCHRNB2CHRNA3CHRNA4CHRNB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170209434-A1 PROTEIN PHOSPHATASE 2A INHIBITORS FOR TREATING MYELODYSPLASTIC SYNDROMES H LEE MOFFITT CANCER CT & RES (US) 2017-07-27 — — 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-20170209434-A1 PROTEIN PHOSPHATASE 2A INHIBITORS FOR TREATING MYELODYSPLASTIC SYNDROMES PPP2CA, PPP2R2A, PPM1A TSHR 3796/4885ATM 279/4885CHRNB2 3929/4885

“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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