SCHEMBL852344

SCHEMBL852344

COC(=O)CC(=O)c1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.57
ALDH1A1 P00352 2/20 0.57
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
CTNNB1 P35222 4/20 0.51
WNT3A P56704 2/20 0.51
GRM4 Q14833 2/20 0.51
PKM P14618 4/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 2/20 0.50
NAPRT Q6XQN6 1/20 0.50
P4HTM Q9NXG6 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 4/20 0.49
POLB P06746 1/20 0.49
ALPL P05186 1/20 0.48
HPGD P15428 1/20 0.48
CDK5 Q00535 1/20 0.48

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
SCHEMBL601821 0.85 LMNA (0.54) SMN1; SMN2ALDH1A1CES2CES1CTNNB1
SCHEMBL29355245 0.85 CES2 (0.64) SMN1; SMN2ALDH1A1CES2CES1CTNNB1
SCHEMBL253276 0.85 CES2 (0.64) SMN1; SMN2ALDH1A1CES2CES1CTNNB1
SCHEMBL5158131 0.83 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1CES2CES1CTNNB1
SCHEMBL5163590 0.83 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1CES2CES1CTNNB1
SCHEMBL2914066 0.83 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1CES2CES1CTNNB1
SCHEMBL4306915 0.82 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1CES2CES1CTNNB1
SCHEMBL29740682 0.81 ALDH1A1 (0.62) SMN1; SMN2ALDH1A1CES2CES1CTNNB1
SCHEMBL1360847 0.81 ALDH1A1 (0.62) SMN1; SMN2ALDH1A1CES2CES1CTNNB1
SCHEMBL33721999 0.81 CES2 (0.59) SMN1; SMN2ALDH1A1CES2CES1CTNNB1

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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1405917-B1 Process for the production of 3-Heteroaryl-3-hydroxy-propionic acid derivatives by enantioselective microbial reduction SALTIGO GMBH (DE) 2013-08-14 EP claimed
US-20040181058-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2004-09-16 US claimed
CN-1497048-A Method for preparing 3-heteroarylradical-3-hydroxy-propionic acid derivative 拜尔公司 2004-05-19 CN claimed
EP-1405917-A2 Process for the production of 3-Heteroaryl-3-hydroxy-propionic acid derivatives by enantioselective microbial reduction Bayer Chemicals AG (DE) 2004-04-07 EP claimed
CN-111004169-B Synthesis method and application of polysubstituted pyridine derivative 重庆大学 2022-12-23 CN disclosed
EP-3268372-B9 KV1.3 INHIBITORS AND THEIR MEDICAL APPLICATION 4SC AG (DE) 2021-03-31 EP disclosed
CN-107548397-B Kv1.3 inhibitors and medical uses thereof 4SC股份公司 2020-12-29 CN disclosed
US-20200377514-A1 KV1.3 INHIBITORS AND THEIR MEDICAL APPLICATION 4SC AG (DE) 2020-12-03 US disclosed
US-10822345-B2 KV1.3 inhibitors and their medical application 4SC AG (DE) 2020-11-03 US disclosed
US-20200339592-A1 KV1.3 INHIBITORS AND THEIR MEDICAL APPLICATION 4SC AG (DE) 2020-10-29 US disclosed
US-10723743-B2 Kv1.3 inhibitors and their medical application 4SC AG (DE) 2020-07-28 US disclosed
EP-3268372-B1 KV1.3 INHIBITORS AND THEIR MEDICAL APPLICATION 4SC AG (DE) 2020-07-01 EP disclosed
US-20040181058-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2004-09-16 US disclosed
EP-1425010-A1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS Ortho-McNeil Pharmaceutical, Inc. (US) 2004-06-09 EP disclosed
EP-1405917-A2 Process for the production of 3-Heteroaryl-3-hydroxy-propionic acid derivatives by enantioselective microbial reduction Bayer Chemicals AG (DE) 2004-04-07 EP disclosed
US-20030225274-A1 Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2003-12-04 US disclosed
EP-1340746-A1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives BAYER AG (DE) 2003-09-03 EP disclosed
US-20020169200-A1 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-11-14 US disclosed
WO-2002060438-A1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2002-08-08 WO disclosed
US-4853027-A PREEMGENCE, POSTEMERGENCE HOERBICIDES; WEEDS, GRASSES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-08-01 US 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 (7 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-20040181058-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives HPD, HAAO, GRHPR SMN1; SMN2 4276/4885ALDH1A1 195/4885CES2 888/4885
US-20200339592-A1 KV1.3 INHIBITORS AND THEIR MEDICAL APPLICATION KCNA3, KCNN3, KCNK3 SMN1; SMN2 2222/4885ALDH1A1 3448/4885CES2 3417/4885
US-20020169200-A1 Substituted indoles and their use as integrin antagonists ITGAV, ITGAL, ITGA5 SMN1; SMN2 3889/4885ALDH1A1 1662/4885CES2 4881/4885
US-10723743-B2 Kv1.3 inhibitors and their medical application KCNA3, KCNN3, KCNK3 SMN1; SMN2 2222/4885ALDH1A1 3448/4885CES2 3417/4885
US-20030225274-A1 Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives GRHPR, HPD, HAAO SMN1; SMN2 4683/4885ALDH1A1 273/4885CES2 441/4885
US-10822345-B2 KV1.3 inhibitors and their medical application KCNA3, KCNN3, KCNK3 SMN1; SMN2 2222/4885ALDH1A1 3448/4885CES2 3417/4885
US-20200377514-A1 KV1.3 INHIBITORS AND THEIR MEDICAL APPLICATION KCNN3, KCNN2, KCNA3 SMN1; SMN2 2393/4885ALDH1A1 3178/4885CES2 1949/4885

“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.