SCHEMBL1532777

SCHEMBL1532777

NC(=O)c1ccc(OCC(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 9/20 0.65
ALOX15 P16050 1/20 0.61
AOC3 Q16853 1/20 0.58
PARP15 Q460N3 3/20 0.57
ALDH1A1 P00352 3/20 0.57
PARP4 Q9UKK3 2/20 0.57
KMT2A Q03164 2/20 0.57
PARP14 Q460N5 1/20 0.57
PARP16 Q8N5Y8 1/20 0.57
PARP11 Q9NR21 1/20 0.57
ITGB3 P05106 1/20 0.56
ITGA2B P08514 1/20 0.56
PARP2 Q9UGN5 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
FFAR1 O14842 1/20 0.55
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
PARP1 P09874 1/20 0.53
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53

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
SCHEMBL11099690 0.86 PARP10 (0.66) PARP10AOC3PARP15ALDH1A1PARP4
SCHEMBL339492 0.85 ALOX15 (0.81) ALOX15ALDH1A1KMT2ASMN1; SMN2FFAR1
SCHEMBL7122825 0.85 ITGB3 (0.75) ITGB3ITGA2B
SCHEMBL459532 0.84 ALOX15 (0.61) ALOX15ALDH1A1KMT2AITGB3ITGA2B
SCHEMBL16035699 0.83 ALOX15 (0.65) ALOX15ALDH1A1KMT2AITGB3ITGA2B
SCHEMBL5827387 0.83 ALOX15 (0.65) ALOX15ALDH1A1KMT2AITGB3ITGA2B
SCHEMBL29051537 0.83 ALOX15 (0.65) ALOX15ALDH1A1KMT2AITGB3ITGA2B
SCHEMBL341847 0.83 ALOX15 (0.65) ALOX15ALDH1A1KMT2ASMN1; SMN2FFAR1
Hydrochloric Acid SCHEMBL8040370 0.83 ITGB3 (0.73) ITGB3ITGA2B
SCHEMBL11099688 0.82 PARP10 (0.61) PARP10AOC3PARP15ALDH1A1PARP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3080123-B1 IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SRL (BE) 2020-06-17 EP disclosed
EP-3080117-B1 IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SRL (BE) 2020-06-03 EP disclosed
EP-2858983-B1 TNF-ALPHA MODULATING BENZIMIDAZOLES UCB BIOPHARMA SPRL (BE) 2018-04-18 EP disclosed
US-9926313-B2 Imidazopyridine derivatives as modulators of TNF activity UCB BIOPHARMA SPRL (BE) 2018-03-27 US disclosed
US-9890154-B2 Imidazopyridine derivatives as modulators of TNF activity UCB BIOPHARMA SPRL (BE) 2018-02-13 US disclosed
CN-107428681-A MARINE PERIPHYTON REPELLENT COMPOSITION 芭赛璐化学株式会社 2017-12-01 CN disclosed
US-20170298051-A1 ACTIVATOR OF ADIPONECTIN RECEPTOR THE UNIVERSITY OF TOKYO (JP) 2017-10-19 US disclosed
US-20170298051-A1 ACTIVATOR OF ADIPONECTIN RECEPTOR THE UNIVERSITY OF TOKYO (JP) 2017-10-19 US disclosed
US-9550737-B2 TNF -α modulating benzimidazoles UCB BIOPHARMA SPRL (BE) 2017-01-24 US disclosed
US-20160355509-A1 Imidazopyridine Derivatives as Modulators of TNF Activity UCB BIOPHARMA SPRL (BE) 2016-12-08 US disclosed
EP-1140837-A1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2001-10-10 EP disclosed
WO-2000037444-A1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2000-06-29 WO disclosed
US-5907068-A TRIFLUOROMETHYLSUBSTITUTED COMPOUND INCLUDED IN PEPTIDES ZENECA INC. (US) 1999-05-25 US disclosed
US-5726158-A INHIBITORS OF HUMAN LEUKOCYTE ELASTASE USEFUL IN TREATING TISSUE DEGENERATIVE DISEASES; TRIFLUOROMETHYL KETONE SUBSTITUTED DI-, TRI-, AND TETRA-PEPTIDE DERIVATIVES ZENECA INC. (US) 1998-03-10 US disclosed
US-5414132-A Peptide intermediates ZENECA INC. (US) 1995-05-09 US disclosed
US-5194588-A Inhibitors of human leukocyte elastase, di-, tri- and tetra-peptides ICI AMERICAS INC. (US) 1993-03-16 US disclosed
EP-0189305-B1 PEPTIDE DERIVATIVES ICI AMERICAS INC. (US) 1992-07-29 EP disclosed
US-5055450-A Di-, tri- and tetrapeptides as inhibitors of human leukocyte elastase ICI AMERICAS INC. (US) 1991-10-08 US disclosed
US-4910190-A Containing a nitrogen containing heterocycle ring structure ICI AMERICAS INC. (US) 1990-03-20 US disclosed
EP-0189305-A2 Peptide derivatives ICI AMERICAS INC. (US) 1986-07-30 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 (2 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-20160355509-A1 Imidazopyridine Derivatives as Modulators of TNF Activity TNF, TNFRSF1A, TNFRSF9 PARP10 3109/4885ALOX15 2699/4885AOC3 3226/4885
US-20170298051-A1 ACTIVATOR OF ADIPONECTIN RECEPTOR ADIPOR1, ADIPOR2, CCKAR PARP10 1686/4885ALOX15 726/4885AOC3 973/4885

“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.