SCHEMBL989218

SCHEMBL989218

CNC(Cc1ccccc1)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.53
TAAR1 Q96RJ0 2/20 0.50
FCER2 P06734 2/20 0.50
MMP1 P03956 2/20 0.50
SLC18A2 Q05940 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
HPGDS O60760 3/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ALPI P09923 1/20 0.48
PKM P14618 1/20 0.48
PTGS1 P23219 1/20 0.48
XIAP P98170 1/20 0.48
SLC7A5 Q01650 1/20 0.48
PPARG P37231 1/20 0.48
ELANE P08246 1/20 0.48
CYP1A2 P05177 1/20 0.47

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
SCHEMBL13711063 1.00 EPHX1 (0.53) EPHX1TAAR1FCER2MMP1SLC18A2
SCHEMBL3596182 1.00 EPHX1 (0.53) EPHX1TAAR1FCER2MMP1SLC18A2
Hydrochloric Acid SCHEMBL6895586 0.98 EPHX1 (0.51) EPHX1TAAR1FCER2MMP1SLC18A2
Trifluoroacetic Acid SCHEMBL21065923 0.92 PTPN1 (0.46) EPHX1TAAR1FCER2MMP1SLC18A2
Trifluoroacetic Acid SCHEMBL7268669 0.92 PTPN1 (0.46) EPHX1TAAR1FCER2MMP1SLC18A2
SCHEMBL17550583 0.89 FCER2 (0.57) FCER2MMP1HPGDS
SCHEMBL8175870 0.87 TAAR1 (0.52) TAAR1SLC18A2SIGMAR1NPC1RAB9A
SCHEMBL2628426 0.87 TAAR1 (0.52) TAAR1SLC18A2SIGMAR1NPC1RAB9A
SCHEMBL8318346 0.87 TAAR1 (0.52) TAAR1SLC18A2SIGMAR1NPC1RAB9A
SCHEMBL17550603 0.86 FCER2 (0.49) FCER2MMP1HPGDSPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63123398-A None JP disclosed
US-20230279052-A1 PRODRUGS OF MITOCHONDRIA-TARGETING OLIGOPEPTIDES STEALTH BIOTHERAPEUTICS INC. 2023-09-07 US disclosed
US-20230028516-A1 PRODRUGS OF ITACONATE AND METHYL ITACONATE INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY AS CR V.V.I. (CZ) 2023-01-26 US disclosed
US-20230025922-A1 USE OF ITACONATE AND ITS DERIVATIVES/ANALOGUES TO INDUCE HAIR GROWTH THE JOHNS HOPKINS UNIVERSTY 2023-01-26 US disclosed
EP-3209732-B1 SPHINGOSINE-1-PHOSPATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS SCRIPPS RESEARCH INST (US) 2021-08-04 EP disclosed
EP-2872157-B1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS HANGZHOU DAC BIOTECH CO LTD (CN) 2020-01-22 EP disclosed
WO-2018086139-A1 CONJUGATION LINKERS, CELL BINDING MOLECULE-DRUG CONJUGATES CONTAINING THE LIKERS, METHODS OF MAKING AND USES SUCH CONJUGATES WITH THE LINKERS HANGZHOU DAC BIOTECH CO., LTD (CN) 2018-05-17 WO disclosed
EP-3178836-A1 GADD45BETA TARGETING AGENTS Imperial Innovations Limited (GB) 2017-06-14 EP disclosed
US-20170037086-A1 PEPTIDOMIMETIC MACROCYCLES WITH PTH ACTIVITY AILERON THERAPEUTICS, INC. 2017-02-09 US disclosed
US-9481670-B2 Triazine compounds SPHAERA PHARMA PTE. LTD. (SG) 2016-11-01 US disclosed
WO-1994009031-A1 ANALOGUES OF CHOLECYSTOKININ (30-33) CONTAINING AN ALPHA-SUBSTITUTED AMINOACID WARNER-LAMBERT COMPANY (US) 1994-04-28 WO disclosed
EP-0226217-B1 Peptides with sulfate ester group FISONS CORP (US) 1994-01-26 EP disclosed
EP-0495013-A1 HEXAPEPTIDES WITH SULPHATE ESTER GROUPS. FISONS CORP (US) 1992-07-22 EP disclosed
WO-1991008225-A1 HEXAPEPTIDES WITH SULPHATE ESTER GROUPS FISONS CORPORATION (US) 1991-06-13 WO disclosed
EP-0417217-A1 PEPTIDES WITH SULPHATE ESTER GROUPS FISONS CORPORATION (US) 1991-03-20 EP disclosed
WO-1990008773-A1 PEPTIDES WITH SULPHATE ESTER GROUPS FISONS CORPORATION (US) 1990-08-09 WO disclosed
EP-0376040-A2 N-phosphinyl di-and tripeptides as renin inhibitors AMERICAN CYANAMID COMPANY (US) 1990-07-04 EP disclosed
EP-0376012-A2 Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1990-07-04 EP disclosed
JP-S63123398-A PRODUCTION OF L-ALPHA-METHYLPHENYLALANINES MITSUBISHI GAS CHEM CO INC 1988-05-27 JP disclosed
EP-0224151-A2 2-Substituted-[2-substituted-amino]-N-aralkyl-3-[indol-3-yl]propanamides WARNER-LAMBERT COMPANY (US) 1987-06-03 EP 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 (4 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-20230025922-A1 USE OF ITACONATE AND ITS DERIVATIVES/ANALOGUES TO INDUCE HAIR GROWTH LRBA, HADHA, IMPDH1 EPHX1 2056/4885TAAR1 3607/4885FCER2 4023/4885
US-20230279052-A1 PRODRUGS OF MITOCHONDRIA-TARGETING OLIGOPEPTIDES ARG2, NLN, OAT EPHX1 3534/4885TAAR1 4409/4885FCER2 4617/4885
US-20230028516-A1 PRODRUGS OF ITACONATE AND METHYL ITACONATE HADHA, IMPDH1, CYP27A1 EPHX1 1202/4885TAAR1 3217/4885FCER2 3630/4885
US-20170037086-A1 PEPTIDOMIMETIC MACROCYCLES WITH PTH ACTIVITY PTH1R, CALCA, CALCB EPHX1 3630/4885TAAR1 3884/4885FCER2 2194/4885

“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.