SCHEMBL17009239

SCHEMBL17009239

COc1ccc(CC(CCC(N)=O)C(N)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.53
SLC6A4 P31645 1/20 0.47
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
F2RL1 P55085 1/20 0.44
EPHX1 P07099 1/20 0.44
POLB P06746 2/20 0.43
PPARG P37231 2/20 0.43
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 1/20 0.42
PPARA Q07869 1/20 0.42
FFAR1 O14842 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
PARP1 P09874 1/20 0.42
PARP10 Q53GL7 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
PARP4 Q9UKK3 1/20 0.42

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
SCHEMBL21715226 0.93 LDHA (0.51) LDHASLC6A4CYP2C19CYP1A2CYP2D6
SCHEMBL17397495 0.91 LDHA (0.50) LDHASLC6A4CYP2C19CYP1A2CYP2D6
SCHEMBL17397499 0.90 LDHA (0.49) LDHASLC6A4CYP2C19CYP1A2CYP2D6
SCHEMBL933944 0.86 LDHA (0.54) LDHASLC6A4CYP2C19CYP1A2CYP2D6
SCHEMBL27512733 0.84 LDHA (0.56) LDHASLC6A4CYP2C19CYP1A2CYP2D6
SCHEMBL7360593 0.84 LDHA (0.56) LDHASLC6A4CYP2C19CYP1A2CYP2D6
SCHEMBL16762028 0.84 LDHA (0.51) LDHASLC6A4CYP2C19CYP1A2CYP2D6
SCHEMBL28285284 0.81 LDHA (0.60) LDHASLC6A4EPHX1PPARGALDH1A1
SCHEMBL19410698 0.80 LDHA (0.54) LDHASLC6A4CYP2C19CYP1A2CYP2D6
SCHEMBL17397647 0.76 TAAR1 (0.52) CYP1A2PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240189360-A1 COMPOSITIONS AND METHODS TO IMPROVE THE HOMING AND GRAFTING OF HEMATOPOETIC STEM CELLS 7 HILLS PHARMA INC. (US) 2024-06-13 US disclosed
US-11311619-B2 Integrin activator vaccine compositions 7 Hills Pharma Inc. and Texas Heart Institute (US) 2022-04-26 US disclosed
EP-3104867-B1 COMPOSITIONS AND METHODS TO IMPROVE THE HOMING AND GRAFTING OF HEMATOPOETIC STEM CELLS 7 Hills Pharma LLC (US) 2022-01-19 EP disclosed
US-20210023207-A1 NOVEL INTEGRIN ACTIVATOR VACCINE COMPOSITIONS 7 Hills Pharma LLC (US) 2021-01-28 US disclosed
US-10716849-B2 Methods of administering novel integrin activator vaccine compositions 7 Hills Pharma LLC (US) 2020-07-21 US disclosed
US-10709781-B2 Integrin activator checkpoint inhibitor compositions 7 Hills Pharma LLC (US) 2020-07-14 US disclosed
US-20200054743-A1 NOVEL INTEGRIN ACTIVATOR CHECKPOINT INHIBITOR COMPOSITIONS 7 Hills Pharma LLC (US) 2020-02-20 US disclosed
US-20190343952-A1 METHODS OF ADMINISTERING NOVEL INTEGRIN ACTIVATOR VACCINE COMPOSITIONS 7 Hills Pharma LLC (US) 2019-11-14 US disclosed
EP-3288585-A2 NOVEL COMPOSITIONS AND METHODS FOR IMMUNOTHERAPIES COMPRISING SMALL MOLECULE INTEGRIN RECEPTOR-LIGAND AGONIST ADJUVANTS 7 HILLS INTERESTS, LLC (US) 2018-03-07 EP disclosed
EP-3104867-A1 COMPOSITIONS AND METHODS TO IMPROVE THE HOMING AND GRAFTING OF HEMATOPOETIC STEM CELLS 7 HILLS INTERESTS, LLC (US) 2016-12-21 EP disclosed
US-20160339098-A1 Novel compositions and methods for immunotherapies comprising small molecule integrin receptor-ligand agonist adjuvants 7 HILLS PHARMA INC. 2016-11-24 US disclosed
WO-2016176400-A2 NOVEL COMPOSITIONS AND METHODS FOR IMMUNOTHERAPIES COMPRISING SMALL MOLECULE INTEGRIN RECEPTOR-LIGAND AGONIST ADJUVANTS 7 HILLS INTERESTS LLC (US) 2016-11-03 WO disclosed
WO-2015123447-A1 COMPOSITIONS AND METHODS TO IMPROVE THE HOMING AND GRAFTING OF HEMATOPOETIC STEM CELLS 7 HILLS PHARMA, LLC (US) 2015-08-20 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 (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-11311619-B2 Integrin activator vaccine compositions ITGAM, ITGA2B, ITGA1 LDHA 4024/4885SLC6A4 4872/4885CYP2C19 4540/4885
US-20200054743-A1 NOVEL INTEGRIN ACTIVATOR CHECKPOINT INHIBITOR COMPOSITIONS CD47, ITGA1, ITGA2B LDHA 2787/4885SLC6A4 4881/4885CYP2C19 4470/4885
US-10709781-B2 Integrin activator checkpoint inhibitor compositions CD47, ITGA1, ITGAM LDHA 2451/4885SLC6A4 4877/4885CYP2C19 4465/4885
US-10716849-B2 Methods of administering novel integrin activator vaccine compositions ITGAM, ITGA2B, ITGA2 LDHA 3598/4885SLC6A4 4862/4885CYP2C19 4788/4885
US-20190343952-A1 METHODS OF ADMINISTERING NOVEL INTEGRIN ACTIVATOR VACCINE COMPOSITIONS ITGAM, ITGA2B, ITGA2 LDHA 3598/4885SLC6A4 4862/4885CYP2C19 4788/4885
US-20210023207-A1 NOVEL INTEGRIN ACTIVATOR VACCINE COMPOSITIONS ITGA2B, ITGAM, ITGAV LDHA 4065/4885SLC6A4 4877/4885CYP2C19 4661/4885
US-20240189360-A1 COMPOSITIONS AND METHODS TO IMPROVE THE HOMING AND GRAFTING OF HEMATOPOETIC STEM CELLS CXCL12, ITGB3, ITGB7 LDHA 3137/4885SLC6A4 4054/4885CYP2C19 4648/4885
US-20160339098-A1 Novel compositions and methods for immunotherapies comprising small molecule integrin receptor-ligand agonist adjuvants CD4, CD274, ICOS LDHA 2968/4885SLC6A4 4001/4885CYP2C19 4568/4885

“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.