SCHEMBL19475408

SCHEMBL19475408

CC1=CN(C(=O)c2ccccc2O)[C@H](C(=O)O)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 1/20 0.45
▸ ITGA5 P08648 1/20 0.45
▸ PTGS1 P23219 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ KDM4E B2RXH2 5/20 0.41
▸ HPGD P15428 5/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ HMGB1 P09429 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA6 P23280 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ NAPRT Q6XQN6 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40

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
SCHEMBL19475410 1.00 ITGB1 (0.45) ITGB1ITGA5PTGS1PTGS2KDM4E
SCHEMBL19475168 0.83 ITGB1 (0.42) ITGB1ITGA5PTGS1PTGS2KDM4E
SCHEMBL19475166 0.83 ITGB1 (0.42) ITGB1ITGA5PTGS1PTGS2KDM4E
SCHEMBL19506091 0.78 ITGB1 (0.39) ITGB1ITGA5LMNAHTTALDH1A1
SCHEMBL19475177 0.74 HPGD (0.42) ITGB1ITGA5PTGS1PTGS2KDM4E
SCHEMBL19475160 0.74 HPGD (0.42) ITGB1ITGA5PTGS1PTGS2KDM4E
SCHEMBL21042231 0.73 ALDH1A1 (0.34) ALDH1A1
SCHEMBL382552 0.69 ACE (0.52) KDM4ELMNAALDH1A1L3MBTL1
SCHEMBL19474987 0.68 ALDH1A1 (0.55) ITGB1ITGA5ALDH1A1SMN1; SMN2CA2
SCHEMBL19474986 0.68 ALDH1A1 (0.55) ITGB1ITGA5ALDH1A1SMN1; SMN2CA2

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 6 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
US-20190161444-A1 Novel Promysalin Analogues and Methods of Use Thereof Temple University--of the Commonwealth System of Higher Education 2019-05-30 — — 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 ITGB1 4402/4885ITGA5 3697/4885PTGS1 976/4885
US-20190161444-A1 Novel Promysalin Analogues and Methods of Use Thereof MASP2, MAN2A1, CCL11 ITGB1 3876/4885ITGA5 3187/4885PTGS1 1309/4885

“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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