SCHEMBL3936094

SCHEMBL3936094

CCOC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.60
NPC1 O15118 1/20 0.60
TP53 P04637 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
CA2 P00918 1/20 0.56
CTSL P07711 1/20 0.55
GAA P10253 2/20 0.54
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
USP21 Q9UK80 1/20 0.50
LMNA P02545 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ACE P12821 1/20 0.49
BACE1 P56817 1/20 0.48
KDM4E B2RXH2 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
SCHEMBL7609219 1.00 RAB9A (0.60) RAB9ANPC1TP53SMN1; SMN2CA2
SCHEMBL28731673 0.88 CCR3 (0.51) RAB9ANPC1TP53SMN1; SMN2CA2
SCHEMBL28731672 0.88 CCR3 (0.51) RAB9ANPC1TP53SMN1; SMN2CA2
SCHEMBL4362723 0.86 ALDH1A1 (0.59) RAB9ANPC1TP53SMN1; SMN2CA2
SCHEMBL3927028 0.86 CTSL (0.71) RAB9ATP53CTSLGAAALDH1A1
SCHEMBL28790851 0.86 CTSL (0.71) RAB9ATP53CTSLGAAALDH1A1
SCHEMBL28604598 0.86 RAB9A (0.70) RAB9ANPC1TP53SMN1; SMN2CA2
SCHEMBL4368609 0.85 RAB9A (0.60) RAB9ANPC1TP53SMN1; SMN2CA2
SCHEMBL27761117 0.85 CTSL (0.62) RAB9ATP53CTSLGAAALDH1A1
SCHEMBL8133358 0.84 MEN1 (0.51) RAB9ANPC1TP53SMN1; SMN2CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250026848-A1 IDENTIFICATION OF PATHOGENIC IMMUNE CELL SUBSETS IN CHECKPOINT INHIBITOR-INDUCED MYOCARDITIS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2025-01-23 US claimed
WO-2023023269-A1 IDENTIFICATION OF PATHOGENIC IMMUNE CELL SUBSETS IN CHECKPOINT INHIBITOR-INDUCED MYOCARDITIS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-02-23 WO claimed
US-6420424-B1 ADMINISTERING PHENYLALANINE AMIDE DERIVATIVES (SUCH AS S-ETHYL-2-AMINO-3-(4-CHLOROPHENYL)PROPIONATE HYDROCHLORIDE) TO TREAT ALLERGIC DISORDERS, INCLUDING ASTHMA, RHINITIS, DERMATITUS, AND PRURITIS SMITHKLINE BEECHAM CORPORATION 2002-07-16 US claimed
JP-2002512960-A 2002-05-08 JP claimed
EP-1073434-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-02-07 EP claimed
WO-1999055330-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-04 WO claimed
CN-121891531-A Use of CCR3 antagonists as medicaments for the treatment of stress dermatitis 复旦大学 2026-04-21 CN disclosed
US-20250026848-A1 IDENTIFICATION OF PATHOGENIC IMMUNE CELL SUBSETS IN CHECKPOINT INHIBITOR-INDUCED MYOCARDITIS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2025-01-23 US disclosed
US-20250019772-A1 Method and System of Augmenting Cancer Therapy UNIV MIAMI (US) 2025-01-16 US disclosed
US-20230312697-A1 METHODS OF IMPROVING RETINA-ASSOCIATED DISEASE OUTCOME USING CCR3-INHIBITORS ALKAHEST INC. 2023-10-05 US disclosed
US-20230312697-A1 METHODS OF IMPROVING RETINA-ASSOCIATED DISEASE OUTCOME USING CCR3-INHIBITORS ALKAHEST INC. 2023-10-05 US disclosed
WO-2023023269-A1 IDENTIFICATION OF PATHOGENIC IMMUNE CELL SUBSETS IN CHECKPOINT INHIBITOR-INDUCED MYOCARDITIS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-02-23 WO disclosed
EP-1691199-B1 METHOD OF PREDICTING SPOT FORMATION ON THE SKIN WITH THE USE OF SPOT SITE-ACCELERATING GENES AS INDICATION AND METHOD OF SCREENING INHIBITOR FOR SPOT FORMATION ON THE SKIN SHISEIDO CO LTD (JP) 2009-04-01 EP disclosed
US-20070249915-A1 Inhibitors SHISEIDO COMPANY, LTD. (JP) 2007-10-25 US disclosed
EP-1691199-A1 METHOD OF PREDICTING SPOT FORMATION ON THE SKIN WITH THE USE OF SPOT SITE-ACCELERATING GENES AS INDICATION AND METHOD OF SCREENING INHIBITOR FOR SPOT FORMATION ON THE SKIN SHISEIDO COMPANY LIMITED (JP) 2006-08-16 EP disclosed
US-6420424-B1 ADMINISTERING PHENYLALANINE AMIDE DERIVATIVES (SUCH AS S-ETHYL-2-AMINO-3-(4-CHLOROPHENYL)PROPIONATE HYDROCHLORIDE) TO TREAT ALLERGIC DISORDERS, INCLUDING ASTHMA, RHINITIS, DERMATITUS, AND PRURITIS SMITHKLINE BEECHAM CORPORATION 2002-07-16 US disclosed
EP-1073434-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-02-07 EP disclosed
WO-1999055330-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-04 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 (1 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-20230312697-A1 METHODS OF IMPROVING RETINA-ASSOCIATED DISEASE OUTCOME USING CCR3-INHIBITORS CCR3, CCR1, CCRL2 RAB9A 2411/4885NPC1 1631/4885TP53 3783/4885

“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.