SCHEMBL19475177

SCHEMBL19475177

O=C(O)C1CC=CN1C(=O)c1ccccc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 6/20 0.42
▸ KDM4E B2RXH2 6/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ HMGB1 P09429 1/20 0.42
▸ CA4 P22748 1/20 0.42
▸ CA6 P23280 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ NAPRT Q6XQN6 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ MAPT P10636 4/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MGLL Q99685 1/20 0.39
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ ITGB1 P05556 1/20 0.38

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
SCHEMBL19475160 1.00 HPGD (0.42) HPGDKDM4EALDH1A1SMN1; SMN2CA12
SCHEMBL19505792 0.83 LMNA (0.44) HPGDKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL19475158 0.82 HPGD (0.42) HPGDKDM4EALDH1A1TSHRALOX15
SCHEMBL19475168 0.74 ITGB1 (0.42) HPGDKDM4EALDH1A1SMN1; SMN2CA12
SCHEMBL19475166 0.74 ITGB1 (0.42) HPGDKDM4EALDH1A1SMN1; SMN2CA12
SCHEMBL19475408 0.74 ITGB1 (0.45) HPGDKDM4EALDH1A1SMN1; SMN2CA12
SCHEMBL19475410 0.74 ITGB1 (0.45) HPGDKDM4EALDH1A1SMN1; SMN2CA12
SCHEMBL19474986 0.70 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2CA2ITGB1ITGA5
SCHEMBL19474987 0.70 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2CA2ITGB1ITGA5
SCHEMBL19475011 0.69 ATM (0.49) HPGDKDM4EALDH1A1SMN1; SMN2CA12

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 HPGD 839/4885KDM4E 3917/4885ALDH1A1 2458/4885
US-20190161444-A1 Novel Promysalin Analogues and Methods of Use Thereof MASP2, MAN2A1, CCL11 HPGD 1381/4885KDM4E 4247/4885ALDH1A1 2906/4885

“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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