SCHEMBL19505792

SCHEMBL19505792

COC(=O)[C@@H]1CC=CN1C(=O)c1ccccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ KMT2A Q03164 5/20 0.40
▸ NPC1 O15118 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ MGLL Q99685 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ USP2 O75604 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RAB9A P51151 1/20 0.35

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
SCHEMBL19505786 0.85 HTT (0.48) LMNATSHRKMT2ANPC1MGLL
SCHEMBL19505783 0.85 HTT (0.48) LMNATSHRKMT2ANPC1MGLL
SCHEMBL19505803 0.83 KMT2A (0.53) TSHRKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL19475160 0.83 HPGD (0.42) LMNATSHRKMT2AKDM4EPTGS1
SCHEMBL19475177 0.83 HPGD (0.42) LMNATSHRKMT2AKDM4EPTGS1
SCHEMBL19505793 0.80 TSHR (0.38) LMNATSHRKMT2ANPC1MGLL
SCHEMBL19505801 0.79 CA1 (0.42) LMNATSHRKMT2AKDM4EMGLL
SCHEMBL21042437 0.75 ALDH1A1 (0.36) KDM4EPTGS1PTGS2ALDH1A1MAPT
SCHEMBL21042228 0.75 ALDH1A1 (0.34) ALDH1A1
SCHEMBL21041369 0.74 ALDH1A1 (0.35) ALDH1A1

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 3 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

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 LMNA 2493/4885TSHR 4103/4885KMT2A 1988/4885
US-20190161444-A1 Novel Promysalin Analogues and Methods of Use Thereof MASP2, MAN2A1, CCL11 LMNA 2614/4885TSHR 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.

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