SCHEMBL2595341

SCHEMBL2595341

C[C@@H]1CN(c2ccc(S(C)(=O)=O)cc2F)CCN1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ SLC6A9 P48067 13/20 0.47
▸ XIAP P98170 1/20 0.46
▸ HTR2C P28335 1/20 0.41
▸ HSD11B1 P28845 2/20 0.41
▸ MAPT P10636 1/20 0.40
▸ KCNH2 Q12809 2/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.39
▸ UGT1A1 P22309 1/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39

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
SCHEMBL2595344 1.00 ALDH1A1 (0.48) ALDH1A1LMNASLC6A9XIAPHTR2C
SCHEMBL2573793 0.82 SLC6A9 (0.55) ALDH1A1LMNASLC6A9MAPTKCNH2
Hydrochloric Acid SCHEMBL4573223 0.81 SLC6A9 (0.54) ALDH1A1LMNASLC6A9MAPTKCNH2
SCHEMBL14922244 0.80 ALDH1A1 (0.48) ALDH1A1LMNAXIAPHTR2CHSD11B1
SCHEMBL13419413 0.79 ALDH1A1 (0.47) ALDH1A1LMNAXIAPHTR2CHSD11B1
SCHEMBL22542089 0.79 ALDH1A1 (0.47) ALDH1A1LMNAXIAPHTR2CHSD11B1
SCHEMBL4826536 0.78 ALDH1A1 (0.73) ALDH1A1LMNAMAPT
SCHEMBL31702110 0.78 ALDH1A1 (0.73) ALDH1A1LMNAMAPT
SCHEMBL2249569 0.78 ALDH1A1 (0.52) ALDH1A1LMNAXIAPHTR2CHSD11B1
SCHEMBL14684816 0.78 ALDH1A1 (0.49) ALDH1A1LMNAHTR2CHSD11B1MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2566859-B1 PICOLINAMIDE AND PYRIMIDINE-4-CARBOXAMIDE COMPOUNDS, PROCESS FOR PREPARING AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SK CHEMICALS CO LTD (KR) 2016-12-21 — — EP disclosed
US-9096571-B2 Picolinamide and pyrimidine-4-carboxamide compounds, process for preparing and pharmaceutical composition comprising the same SK CHEMICALS CO., LTD. (KR) 2015-08-04 — — US disclosed
US-20130210811-A1 PICOLINAMIDE AND PYRIMIDINE-4-CARBOXAMIDE COMPOUNDS, PROCESS FOR PREPARING AND PHAMACEUTICAL COMPOSITION COMPRISING THE SAME SK CHEMICALS CO., LTD. (KR) 2013-08-15 — — US disclosed
CN-103025721-A Picolinamide and pyrimidine-4-carboxamide compounds, process for preparing and pharmaceutical composition comprising the same SK CHEMICALS CO LTD 2013-04-03 — — CN disclosed
EP-2566859-A2 PICOLINAMIDE AND PYRIMIDINE-4-CARBOXAMIDE COMPOUNDS, PROCESS FOR PREPARING AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Sk Chemicals Co., Ltd. (KR) 2013-03-13 — — EP disclosed
WO-2011139107-A2 PICOLINAMIDE AND PYRIMIDINE-4-CARBOXAMIDE COMPOUNDS, PROCESS FOR PREPARING AND PHAMACEUTICAL COMPOSITION COMPRISING THE SAME SK CHEMICALS CO.,LTD. (KR) 2011-11-10 — — WO disclosed
WO-2011139107-A2 PICOLINAMIDE AND PYRIMIDINE-4-CARBOXAMIDE COMPOUNDS, PROCESS FOR PREPARING AND PHAMACEUTICAL COMPOSITION COMPRISING THE SAME SK CHEMICALS CO.,LTD. (KR) 2011-11-10 — — 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 (1 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-20130210811-A1 PICOLINAMIDE AND PYRIMIDINE-4-CARBOXAMIDE COMPOUNDS, PROCESS FOR PREPARING AND PHAMACEUTICAL COMPOSITION COMPRISING THE SAME HSD11B1, HSD11B2, G6PC1 ALDH1A1 1029/4885LMNA 744/4885SLC6A9 3833/4885

“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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