SCHEMBL19475006

SCHEMBL19475006

O=C(O)[C@@H]1CC=CN1C(=O)c1ccc(O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA3 P07451 1/20 0.39
▸ TYR P14679 1/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA6 P23280 1/20 0.39
▸ CA5A P35218 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ CA5B Q9Y2D0 1/20 0.39
▸ CPT1B Q92523 1/20 0.37
▸ MAPT P10636 4/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ESR1 P03372 2/20 0.36
▸ ESR2 Q92731 2/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL19475158 0.86 HPGD (0.42) ALDH1A1HPGDKDM4E
SCHEMBL19475438 0.81 MGLL (0.47) CA2CA1CA12CA6CA9
SCHEMBL20996809 0.75 CA1 (0.36) CA2CA1CA12CA3TYR
SCHEMBL14523155 0.64 HPGD (0.64) MAPTALDH1A1KMT2ALMNAPKM
SCHEMBL21485414 0.62 CHRNB2 (0.51) CA2CA1CA12CA3TYR
SCHEMBL27629651 0.62 ALDH1A1 (0.55) CA2CA1CA12CA7CA9
Paraben SCHEMBL9421880 0.61 CA2 (0.80) CA2CA1CA12CA3TYR
SCHEMBL1975158 0.61 HPGD (0.72) CA2CA1CA12CA7CA9
SCHEMBL2646078 0.61 HPGD (0.79) CA2CA1CA12CA7CA9
SCHEMBL2199279 0.61 PHGDH (0.71) MAPTALDH1A1KMT2APKMHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647671-B2 Promysalin analogues and methods of use thereof Temple University—Of the Commonwealth System of Higher Education (US) 2020-05-12 — — US claimed
WO-2017184558-A1 NOVEL PROMYSALIN ANALOGUES AND METHODS OF USE THEREOF TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-10-26 — — WO claimed
US-10647671-B2 Promysalin analogues and methods of use thereof Temple University—Of the Commonwealth System of Higher Education (US) 2020-05-12 — — US disclosed
US-20190161444-A1 Novel Promysalin Analogues and Methods of Use Thereof Temple University--of the Commonwealth System of Higher Education 2019-05-30 — — US disclosed
WO-2017184558-A1 NOVEL PROMYSALIN ANALOGUES AND METHODS OF USE THEREOF TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-10-26 — — 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-10647671-B2 Promysalin analogues and methods of use thereof CCL11, MAN2A1, PREP CA2 3478/4885CA1 3046/4885CA12 2151/4885
US-20190161444-A1 Novel Promysalin Analogues and Methods of Use Thereof MASP2, MAN2A1, CCL11 CA2 4158/4885CA1 3493/4885CA12 2300/4885

“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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