SCHEMBL19475012

SCHEMBL19475012

COCOc1ccccc1C(=O)N1CCCC[C@H]1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
TSHR P16473 1/20 0.58
KMT2A Q03164 1/20 0.58
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
HCRTR2 O43614 1/20 0.42
DGAT1 O75907 1/20 0.42

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
SCHEMBL19475014 1.00 MEN1 (0.58) MEN1TSHRKMT2ATP53SMN1; SMN2
SCHEMBL19475146 0.96 MEN1 (0.53) MEN1TSHRKMT2ATP53SMN1; SMN2
SCHEMBL19475145 0.96 MEN1 (0.53) MEN1TSHRKMT2ATP53SMN1; SMN2
SCHEMBL19505982 0.90 TSHR (0.57) MEN1TSHRKMT2ATP53ALDH1A1
SCHEMBL19505771 0.86 TSHR (0.52) MEN1TSHRKMT2ATP53ALDH1A1
SCHEMBL3855387 0.78 ALDH1A1 (0.54) MEN1TSHRKMT2ASMN1; SMN2ALDH1A1
SCHEMBL11640739 0.78 ALDH1A1 (0.54) MEN1TSHRKMT2ASMN1; SMN2ALDH1A1
SCHEMBL7393837 0.78 ALDH1A1 (0.60) MEN1TSHRKMT2ATP53SMN1; SMN2
SCHEMBL19474982 0.76 ALDH1A1 (0.50) TSHRSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL19474983 0.76 ALDH1A1 (0.50) TSHRSMN1; SMN2ALDH1A1L3MBTL1

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 4 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 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
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 MEN1 443/4885TSHR 4103/4885KMT2A 1988/4885
US-20190161444-A1 Novel Promysalin Analogues and Methods of Use Thereof MASP2, MAN2A1, CCL11 MEN1 484/4885TSHR 4165/4885KMT2A 2088/4885

“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.