SCHEMBL6844044

SCHEMBL6844044

CC(C)Cc1cccc(C(N)=O)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.55
PARP1 P09874 6/20 0.52
MEP1B Q16820 1/20 0.51
SLC6A4 P31645 1/20 0.49
SLC7A5 Q01650 2/20 0.48
ANPEP P15144 1/20 0.47
ENPEP Q07075 1/20 0.47
IDH1 O75874 1/20 0.47
EPHX1 P07099 1/20 0.46
F10 P00742 1/20 0.45
PLG P00747 1/20 0.45
PRSS1 P07477 1/20 0.45

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
SCHEMBL7321956 0.89 FOLH1 (0.55) FOLH1PARP1SLC6A4SLC7A5ANPEP
SCHEMBL20222942 0.85 FOLH1 (0.51) FOLH1PARP1MEP1BSLC6A4SLC7A5
SCHEMBL28217944 0.84 FOLH1 (0.56) FOLH1PARP1MEP1BSLC6A4SLC7A5
SCHEMBL29478099 0.84 SLC7A5 (0.49) FOLH1SLC7A5ANPEPENPEPEPHX1
SCHEMBL765921 0.84 FOLH1 (0.61) FOLH1MEP1BANPEPENPEP
SCHEMBL8098358 0.84 FOLH1 (0.47) FOLH1SLC7A5ANPEPENPEP
SCHEMBL4054915 0.84 SLC7A5 (0.49) FOLH1SLC7A5ANPEPENPEPEPHX1
SCHEMBL9645709 0.83 SLC7A5 (0.43) FOLH1SLC7A5ANPEPENPEPEPHX1
SCHEMBL19143670 0.83 SLC7A5 (0.56) FOLH1PARP1MEP1BSLC6A4SLC7A5
SCHEMBL14131093 0.83 FOLH1 (0.49) FOLH1PARP1MEP1BIDH1F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-28 US disclosed
US-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-28 US disclosed
US-20230043159-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF DISC MEDICINE, INC. 2023-02-09 US disclosed
US-11547712-B2 Kinase inhibitor compounds and compositions and methods of use ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2023-01-10 US disclosed
US-20220002251-A1 HUMAN TLR8-SELECTIVE AGONISTS UNIVERSITY OF KANSAS (US) 2022-01-06 US disclosed
WO-2021216998-A1 MODIFIED NUCLEOTIDES AND USES THEREOF Singular Genomics Systems, Inc. (US) 2021-10-28 WO disclosed
EP-3400210-B1 \"MULTI-TARGET\" COMPOUNDS WITH INHIBITORY ACTIVITY TOWARDS HISTONE DEACETYLASES AND TUBULIN POLYMERISATION, FOR USE IN THE TREATMENT OF CANCER UNIV PARIS SACLAY (FR) 2021-09-29 EP disclosed
US-11130736-B2 Human TLR8-selective agonists UNIVERSITY OF KANSAS (US) 2021-09-28 US disclosed
US-20210238565-A1 CARBOXYESTERASE POLYPEPTIDES FOR AMIDE COUPLING INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2021-08-05 US disclosed
US-11015180-B2 Carboxyesterase polypeptides for amide coupling CODEXIS, INC. (US) 2021-05-25 US disclosed
US-20070155739-A1 Substituted bis-amide metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-7229972-B2 Semisynthetic trimethylenedioxy-erythromycin derivatives and their use in treating bacterial infections and cystic fibrosis; preparation ENANTA PHARMACEUTICALS, INC. (US) 2007-06-12 US disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 US disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 US disclosed
WO-2006128184-A2 PYRIMIDINE OR TRIAZINE FUSED BICYCLIC METALLOPROTEASE INHIBITORS ALANTOS-PHARMACEUTICALS, INC. (US) 2006-11-30 WO disclosed
US-6770650-B2 CHEMOKINE RECEPTOR (CCR) ANTAGONISTS SUCH AS N-(1(S)-(4-(3,4-DICHLOROBENZYL)PIPERAZIN-1-YLMETHYL)-2-METHYLPROPYL)-4 -METHYLBENZAMIDE DIHYDROCHLORIDE SALT FOR TREATMENT OF ASTHMA SYNTEX (U.S.A.) LLC 2004-08-03 US disclosed
US-6323223-B1 CCR-3 RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, METHODS FOR THEIR USE AND METHODS FOR PREPARING THESE COMPOUNDS. SYNTEX (U.S.A.) LLC 2001-11-27 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 (8 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-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP51A1, CYP4F11, WEE1 FOLH1 801/4885PARP1 1706/4885MEP1B 642/4885
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ADAMTS4, ADAMTS1, ADAMTS5 FOLH1 255/4885PARP1 661/4885MEP1B 394/4885
US-11130736-B2 Human TLR8-selective agonists TLR7, TLR8, TLR9 FOLH1 2711/4885PARP1 1638/4885MEP1B 3041/4885
US-11547712-B2 Kinase inhibitor compounds and compositions and methods of use MAP3K20, MAP3K1, PACSIN2 FOLH1 4501/4885PARP1 2249/4885MEP1B 1213/4885
US-20230043159-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF MMP7, MATR3, SPINT2 FOLH1 176/4885PARP1 1274/4885MEP1B 330/4885
US-20220002251-A1 HUMAN TLR8-SELECTIVE AGONISTS TLR7, TLR8, TLR9 FOLH1 2711/4885PARP1 1638/4885MEP1B 3041/4885
US-20070155739-A1 Substituted bis-amide metalloprotease inhibitors MMP13, MMP9, ADAMTS13 FOLH1 305/4885PARP1 176/4885MEP1B 349/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 FOLH1 384/4885PARP1 326/4885MEP1B 453/4885

“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.