SCHEMBL7192022

SCHEMBL7192022

CC(NCC(=O)O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
PTGS2 P35354 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ECE1 P42892 1/20 0.39
CYP2C19 P33261 3/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
ACE P12821 2/20 0.34
MME P08473 1/20 0.34
CPA1 P15085 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
CTH P32929 1/20 0.33
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
TAS1R3 Q7RTX0 3/20 0.32
TAS1R1 Q7RTX1 3/20 0.32

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
SCHEMBL14930536 1.00 LMNA (0.40) LMNAALDH1A1MAPTPTGS2TDP1
SCHEMBL16705114 1.00 LMNA (0.40) LMNAALDH1A1MAPTPTGS2TDP1
SCHEMBL7717660 0.75 ALDH1A1 (0.43) LMNAALDH1A1MAPTPTGS2TDP1
SCHEMBL574632 0.75 ALDH1A1 (0.43) LMNAALDH1A1MAPTPTGS2TDP1
SCHEMBL14930533 0.75 ALDH1A1 (0.43) LMNAALDH1A1MAPTPTGS2TDP1
SCHEMBL28959278 0.74 ECE1 (0.38) LMNAALDH1A1MAPTPTGS2TDP1
SCHEMBL12296171 0.74 CYP3A4 (0.33) CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL626065 0.74 ALDH1A1 (0.35) LMNAALDH1A1MAPTPTGS2TDP1
SCHEMBL7963420 0.74
SCHEMBL161143 0.74

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-11384048-B2 Aromatic vinyl or aromatic ethyl derivative, preparation method therefor, intermediate, pharmaceutical composition, and application GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2022-07-12 US disclosed
US-20220168268-A1 SMALL-MOLECULE INHIBITOR OF PD-1/PD-L1, PHARMACEUTICAL COMPOSITION THEREOF WITH PD-L1 ANTIBODY, AND APPLICATION OF SAME GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2022-06-02 US disclosed
US-20210387941-A1 Diphenyl-like Compound, Intermediate Thereof, Preparation Method Therefor, Pharmaceutical Composition Thereof And Uses Thereof SHANGHAI MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2021-12-16 US disclosed
US-20210061755-A1 AROMATIC VINYL OR AROMATIC ETHYL DERIVATIVE, PREPARATION METHOD THEREFOR, INTERMEDIATE, PHARMACEUTICAL COMPOSITION, AND APPLICATION GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2021-03-04 US disclosed
US-9029405-B2 5-(biphenyl-4-yl)-3-phenyl-1,2,4-oxadiazolyl derivatives as ligands on the sphingosine 1-phosphate(SIP)receptors MERCK SERONO S.A. (CH) 2015-05-12 US disclosed
US-9029405-B2 5-(biphenyl-4-yl)-3-phenyl-1,2,4-oxadiazolyl derivatives as ligands on the sphingosine 1-phosphate(SIP)receptors MERCK SERONO S.A. (CH) 2015-05-12 US disclosed
US-8791142-B2 Oxazole pyridine derivatives useful as S1P1 receptor agonists MERCK SERONO S.A. (CH) 2014-07-29 US disclosed
US-20130116289-A1 5-(BIPHENYL-4-YL)-3-PHENYL-1,2,4-OXADIAZOLYL DERIVATIVES AS LIGANDS ON THE SPHINGOSINE 1-PHOSPHATE(SIP)RECEPTORS MERCK SERONO S.A. (CH) 2013-05-09 US disclosed
US-20110306636-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS MERCK SERONO SA (CH) 2011-12-15 US disclosed
US-6586402-B1 LH-RH peptide analogues, their uses and pharmaceutical compositions containing them LABORATOIRE THERAMEX (MC) 2003-07-01 US disclosed
EP-1117420-B1 PHARMACEUTICAL COMPOSITIONS BASED ON ALPHA-CYCLODEXTRIN FOR THE ORAL ADMINISTRATION OF LH-RH ANALOGUES THERAMEX (MC) 2002-06-05 EP disclosed
EP-0984982-B1 LH-RH PEPTIDE ANALOGUES, THEIR USES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM THERAMEX (MC) 2001-08-16 EP disclosed
EP-0998940-A1 Pharmaceutical compositions based on alpha-cyclodextrin for the oral administration of LH-RH analogues LABORATOIRE THERAMEX (MC) 2000-05-10 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 (6 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-20130116289-A1 5-(BIPHENYL-4-YL)-3-PHENYL-1,2,4-OXADIAZOLYL DERIVATIVES AS LIGANDS ON THE SPHINGOSINE 1-PHOSPHATE(SIP)RECEPTORS S1PR1, S1PR5, S1PR2 LMNA 3800/4885ALDH1A1 2173/4885MAPT 2446/4885
US-11384048-B2 Aromatic vinyl or aromatic ethyl derivative, preparation method therefor, intermediate, pharmaceutical composition, and application PDCD1, CD274, PDCD1LG2 LMNA 2222/4885ALDH1A1 69/4885MAPT 2465/4885
US-20210061755-A1 AROMATIC VINYL OR AROMATIC ETHYL DERIVATIVE, PREPARATION METHOD THEREFOR, INTERMEDIATE, PHARMACEUTICAL COMPOSITION, AND APPLICATION PDCD1, CD274, PDCD1LG2 LMNA 2222/4885ALDH1A1 69/4885MAPT 2465/4885
US-20220168268-A1 SMALL-MOLECULE INHIBITOR OF PD-1/PD-L1, PHARMACEUTICAL COMPOSITION THEREOF WITH PD-L1 ANTIBODY, AND APPLICATION OF SAME PDCD1, PDCD1LG2, CD274 LMNA 3485/4885ALDH1A1 206/4885MAPT 1058/4885
US-20110306636-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS S1PR1, S1PR3, S1PR5 LMNA 3976/4885ALDH1A1 1840/4885MAPT 3229/4885
US-20210387941-A1 Diphenyl-like Compound, Intermediate Thereof, Preparation Method Therefor, Pharmaceutical Composition Thereof And Uses Thereof CD274, PDCD1LG2, PDCD1 LMNA 1281/4885ALDH1A1 48/4885MAPT 1667/4885

“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.