SCHEMBL19505786

SCHEMBL19505786

COC(=O)[C@@H]1CC=CN1C(=O)c1ccccc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.48
▸ TSHR P16473 2/20 0.46
▸ LMNA P02545 2/20 0.44
▸ HSD11B1 P28845 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ MGLL Q99685 1/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MAPK14 Q16539 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CTSD P07339 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA14 Q9ULX7 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
SCHEMBL19505783 1.00 HTT (0.48) HTTTSHRLMNAHSD11B1KMT2A
SCHEMBL19475152 0.88 HTT (0.49) HTTTSHRLMNAHSD11B1KMT2A
SCHEMBL19505793 0.87 TSHR (0.38) HTTTSHRLMNAHSD11B1KMT2A
SCHEMBL19505792 0.85 LMNA (0.44) TSHRLMNAKMT2AALDH1A1MGLL
SCHEMBL19506099 0.82 HTT (0.51) HTTTSHRLMNAHSD11B1KMT2A
SCHEMBL19505803 0.82 KMT2A (0.53) TSHRKMT2AALDH1A1CYP2C9CYP2C19
SCHEMBL19505791 0.80 NPSR1 (0.36) HTTTSHRLMNAKMT2AALDH1A1
SCHEMBL19506192 0.77 FKBP1A (0.50) LMNAALDH1A1GAASMN1; SMN2
SCHEMBL19506188 0.77 FKBP1A (0.50) LMNAALDH1A1GAASMN1; SMN2
SCHEMBL19505801 0.75 CA1 (0.42) TSHRLMNAKMT2AALDH1A1MGLL

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 HTT 2890/4885TSHR 4103/4885LMNA 2493/4885
US-20190161444-A1 Novel Promysalin Analogues and Methods of Use Thereof MASP2, MAN2A1, CCL11 HTT 3031/4885TSHR 4165/4885LMNA 2614/4885

“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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