SCHEMBL20138329

SCHEMBL20138329

N=C(CCl)NCCC[C@@H](NC(=O)c1ccccc1)C(N)=O

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 8/20 0.63
PADI1 Q9ULC6 7/20 0.63
PADI2 Q9Y2J8 5/20 0.63
PADI3 Q9ULW8 5/20 0.63
PDE4A P27815 3/20 0.63
PDE4B Q07343 2/20 0.63
PDE4C Q08493 2/20 0.63
PDE4D Q08499 2/20 0.63
PADI6 Q6TGC4 2/20 0.63
GRIN1 Q05586 2/20 0.46
GRIN2A Q12879 2/20 0.46
MMP12 P39900 1/20 0.44
HPGDS O60760 2/20 0.44
KISS1R Q969F8 1/20 0.43
ROCK2 O75116 1/20 0.42
F10 P00742 1/20 0.41
C3AR1 Q16581 1/20 0.41

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
SCHEMBL1979577 1.00 PADI4 (0.63) PADI4PADI1PADI2PADI3PDE4A
SCHEMBL12598888 0.92 PADI1 (0.59) PADI4PADI1PADI2PADI3PDE4A
SCHEMBL19581174 0.89 PADI4 (0.62) PADI4PADI1PADI2PADI3PDE4A
SCHEMBL12560110 0.89 PADI1 (0.56) PADI4PADI1PADI2PADI3PDE4A
SCHEMBL1979695 0.89 PADI4 (0.62) PADI4PADI1PADI2PADI3PDE4A
SCHEMBL158990 0.88 PADI1 (0.60) PADI4PADI1PADI2PADI3PDE4A
SCHEMBL10946109 0.88 PADI1 (0.60) PADI4PADI1PADI2PADI3PDE4A
SCHEMBL1979621 0.87 PADI4 (0.66) PADI4PADI1PADI2PADI3PDE4A
Hydrochloric Acid SCHEMBL29401072 0.86 PADI1 (0.58) PADI4PADI1PADI2PADI3PDE4A
SCHEMBL10060236 0.84 HDAC4 (0.51) PADI4PADI1PADI2PADI3PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10309974-B2 Citrullinated proteins: a post-translated modification of myocardial proteins as marker of physiological and pathological disease CEDARS-SINAI MEDICAL CENTER (US) 2019-06-04 US claimed
US-20180136232-A1 CITRULLINATED PROTEINS: A POST-TRANSLATED MODIFICATION OF MYOCARDIAL PROTEINS AS MARKER OF PHYSIOLOGICAL AND PATHOLOGICAL DISEASE CEDARS-SINAI MEDICAL CENTER (US) 2018-05-17 US claimed
US-11980604-B2 Methods for improved endovascular thrombectomy using 3,3′-diindolylmethane BOULDER BIOSCIENCE LLC (US) 2024-05-14 US disclosed
US-20230104863-A1 METHODS FOR IMPROVED ENDOVASCULAR THROMBECTOMY USING 3,3'-DIINDOLYLMETHANE BOULDER BIOSCIENCE LLC 2023-04-06 US disclosed
US-11529331-B2 Methods for improved endovascular thrombectomy using 3,3′-diindolylmethane BOULDER BIOSCIENCE LLC (US) 2022-12-20 US disclosed
US-20220008387-A1 METHODS FOR IMPROVED ENDOVASCULAR THROMBECTOMY USING 3,3'-DIINDOLYLMETHANE BOULDER BIOSCIENCE LLC 2022-01-13 US disclosed
EP-3761971-A1 COMPOSITIONS AND METHODS FOR INHIBITING INFLAMMATION The University of Memphis Research Foundation (US) 2021-01-13 EP disclosed
WO-2019173835-A1 COMPOSITIONS AND METHODS FOR INHIBITING INFLAMMATION THE UNIVERSITY OF MEMPHIS RESEARCH FOUNDATION (US) 2019-09-12 WO disclosed
US-10309974-B2 Citrullinated proteins: a post-translated modification of myocardial proteins as marker of physiological and pathological disease CEDARS-SINAI MEDICAL CENTER (US) 2019-06-04 US disclosed
US-20180136232-A1 CITRULLINATED PROTEINS: A POST-TRANSLATED MODIFICATION OF MYOCARDIAL PROTEINS AS MARKER OF PHYSIOLOGICAL AND PATHOLOGICAL DISEASE CEDARS-SINAI MEDICAL CENTER (US) 2018-05-17 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 (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-20230104863-A1 METHODS FOR IMPROVED ENDOVASCULAR THROMBECTOMY USING 3,3'-DIINDOLYLMETHANE PLAT, FGB, ADAMTS13 PADI4 606/4885PADI1 750/4885PADI2 451/4885
US-11980604-B2 Methods for improved endovascular thrombectomy using 3,3′-diindolylmethane PLAT, FGB, ADAMTS13 PADI4 575/4885PADI1 724/4885PADI2 427/4885
US-20220008387-A1 METHODS FOR IMPROVED ENDOVASCULAR THROMBECTOMY USING 3,3'-DIINDOLYLMETHANE PLAT, FGB, ADAMTS13 PADI4 606/4885PADI1 750/4885PADI2 451/4885
US-11529331-B2 Methods for improved endovascular thrombectomy using 3,3′-diindolylmethane PLAT, FGB, ADAMTS13 PADI4 575/4885PADI1 724/4885PADI2 427/4885

“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.