SCHEMBL17397495

SCHEMBL17397495

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.50
SLC6A4 P31645 1/20 0.45
EPHX1 P07099 1/20 0.45
CYP2D6 P10635 2/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
F2RL1 P55085 1/20 0.42
POLB P06746 2/20 0.42
PPARG P37231 1/20 0.41
ALOX5 P09917 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL17397499 0.99 LDHA (0.49) LDHASLC6A4EPHX1CYP2D6MEN1
SCHEMBL21715226 0.96 LDHA (0.51) LDHASLC6A4EPHX1CYP2D6MEN1
SCHEMBL17009239 0.91 LDHA (0.53) LDHASLC6A4EPHX1CYP2D6KMT2A
SCHEMBL16762028 0.87 LDHA (0.51) LDHASLC6A4EPHX1CYP2D6CYP1A2
SCHEMBL933944 0.84 LDHA (0.54) LDHASLC6A4EPHX1CYP2D6KMT2A
SCHEMBL7360593 0.82 LDHA (0.56) LDHASLC6A4EPHX1CYP2D6KMT2A
SCHEMBL27512733 0.82 LDHA (0.56) LDHASLC6A4EPHX1CYP2D6KMT2A
SCHEMBL17397647 0.80 TAAR1 (0.52) CYP1A2L3MBTL1
SCHEMBL6409253 0.79 CYP3A4 (0.54) CYP2D6MEN1KMT2ACYP1A2CYP2C19
SCHEMBL8775060 0.79 LDHA (0.65) LDHACYP2D6MEN1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230372253-A1 NOVEL LIPID-BASED SMALL MOLECULE INTEGRIN RECEPTOR-LIGAND AGONIST ADJUVANTS CARRIER COMPOSITIONS, INTEGRIN AGONIST ADJUVANT PHARMACEUTICAL COMPOSITIONS THEREFROM, AND METHODS FOR MAKING AND USING SAME 7 Hills Pharma LLC (US) 2023-11-23 US disclosed
WO-2023215314-A1 NOVEL LIPID-BASED SMALL MOLECULE INTEGRIN RECEPTOR-LIGAND AGONIST ADJUVANTS CARRIER COMPOSITIONS, INTEGRIN AGONIST ADJUVANT PHARMACEUTICAL COMPOSITIONS THEREFROM, AND METHODS FOR MAKING AND USING SAME 7 Hills Pharma LLC (US) 2023-11-09 WO disclosed
US-20210145796-A1 METHODS FOR ADMINISTERING COMPOSITIONS INCLUDING INTEGRIN AGONISTS HAVING ANTI-TUMOR ACTIVITY 7 HILLS PHARMA INC. 2021-05-20 US disclosed
US-20200054600-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR SYSTEMIC TREATMENT OF SOLID TUMORS 7 HILLS INTERESTS LLC (US) 2020-02-20 US disclosed
EP-3164127-A1 COMPOSITIONS AND METHODS TO IMPROVE ADOPTIVE CELL THERAPIES 7 HILLS INTERESTS, LLC (US) 2017-05-10 EP disclosed
WO-2016003980-A1 COMPOSITIONS AND METHODS TO IMPROVE ADOPTIVE CELL THERAPIES 7 HILLS INTERESTS LLC (US) 2016-01-07 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 (3 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-20200054600-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR SYSTEMIC TREATMENT OF SOLID TUMORS VCAM1, ITGB1, ITGA1 LDHA 1046/4885SLC6A4 4541/4885EPHX1 4118/4885
US-20210145796-A1 METHODS FOR ADMINISTERING COMPOSITIONS INCLUDING INTEGRIN AGONISTS HAVING ANTI-TUMOR ACTIVITY ITGB7, ITGA1, ITGAL LDHA 2236/4885SLC6A4 4161/4885EPHX1 1467/4885
US-20230372253-A1 NOVEL LIPID-BASED SMALL MOLECULE INTEGRIN RECEPTOR-LIGAND AGONIST ADJUVANTS CARRIER COMPOSITIONS, INTEGRIN AGONIST ADJUVANT PHARMACEUTICAL COMPOSITIONS THEREFROM, AND METHODS FOR MAKING AND USING SAME ITGAM, ITGA2, ADGRF1 LDHA 3278/4885SLC6A4 3259/4885EPHX1 1472/4885

“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.