SCHEMBL14060709

SCHEMBL14060709

O=C1c2ccccc2C(=O)N1[C@H]1CC[C@H](CS(=O)(=O)O)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 3/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
DRD2 P14416 2/20 0.40
SLC6A4 P31645 1/20 0.40
ACHE P22303 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CHRM2 P08172 1/20 0.38
OPRM1 P35372 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
IKZF3 Q9UKT9 1/20 0.38
CYP1A2 P05177 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.37
INPP5A Q14642 1/20 0.37
MAOA P21397 1/20 0.36

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
SCHEMBL14060710 1.00 L3MBTL1 (0.47) L3MBTL1TSHRKMT2ALMNAGAA
SCHEMBL29191344 0.94 L3MBTL1 (0.43) L3MBTL1TSHRKMT2ALMNAGAA
SCHEMBL14060645 0.85 L3MBTL1 (0.44) L3MBTL1TSHRKMT2ALMNAGAA
SCHEMBL14060646 0.85 L3MBTL1 (0.44) L3MBTL1TSHRKMT2ALMNAGAA
SCHEMBL14029713 0.84 L3MBTL1 (0.55) L3MBTL1TSHRKMT2ALMNAGAA
SCHEMBL15794788 0.81 L3MBTL1 (0.47) L3MBTL1TSHRKMT2ALMNAGAA
SCHEMBL15794790 0.81 L3MBTL1 (0.47) L3MBTL1TSHRKMT2ALMNAGAA
SCHEMBL14060880 0.81 L3MBTL1 (0.51) L3MBTL1TSHRKMT2ALMNAGAA
SCHEMBL14060879 0.81 L3MBTL1 (0.51) L3MBTL1TSHRKMT2ALMNAGAA
SCHEMBL2665681 0.80 L3MBTL1 (0.54) L3MBTL1TSHRKMT2ALMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9388139-B2 Derivatives of celeboxib, use thereof and preparation thereof GERMAN UNIVERSITY (EG) 2016-07-12 US disclosed
US-9034311-B2 Pyridin-2(1 H)-one derivatives as JAK inhibitors ALMIRALL, S.A. (ES) 2015-05-19 US disclosed
US-20140271543-A1 PYRIDIN-2(1H)-ONE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2014-09-18 US disclosed
US-20140171477-A1 DERIVATIVES OF CELEBOXIB, USE THEREOF AND PREPARATION THEREOF SOUTHERN RESEARCH INSTITUTE 2014-06-19 US disclosed
US-20140170110-A1 PYRIDIN-2(1H)-ONE DERIVATIVES USEFUL AS MEDICAMENTS FOR THE TREATMENT OF MYELOPROLIFERATIVE DISORDERS, TRANSPLANT REJECTION, IMMUNE-MEDIATED AND INFLAMMATORY DISEASES ALMIRALL, S.A. (ES) 2014-06-19 US disclosed
EP-2739616-A1 PYRIDIN-2(1H)-ONE DERIVATIVES AS JAK INHIBITORS Almirall, S.A. (ES) 2014-06-11 EP disclosed
WO-2013017461-A1 PYRIDIN-2(1H)-ONE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-02-07 WO disclosed
WO-2012160030-A1 PYRIDIN-2 (1H) -ONE DERIVATIVES USEFUL AS MEDICAMENTS FOR THE TREATMENT OF MYELOPROLIFERATIVE DISORDERS, TRANSPLANT REJECTION, IMMUNE-MEDIATED AND INFLAMMATORY DISEASES ALMIRALL, S.A. (ES) 2012-11-29 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 (3 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-20140170110-A1 PYRIDIN-2(1H)-ONE DERIVATIVES USEFUL AS MEDICAMENTS FOR THE TREATMENT OF MYELOPROLIFERATIVE DISORDERS, TRANSPLANT REJECTION, IMMUNE-MEDIATED AND INFLAMMATORY DISEASES JAK1, JAK3, JAK2 L3MBTL1 3573/4885TSHR 3059/4885KMT2A 1168/4885
US-20140171477-A1 DERIVATIVES OF CELEBOXIB, USE THEREOF AND PREPARATION THEREOF PDE5A, PDE3A, PDE3B L3MBTL1 2528/4885TSHR 4825/4885KMT2A 2402/4885
US-20140271543-A1 PYRIDIN-2(1H)-ONE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 L3MBTL1 3856/4885TSHR 1760/4885KMT2A 995/4885

“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.