SCHEMBL527669

SCHEMBL527669

COC(C(=O)Cl)c1ccccc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.42
CNR2 P34972 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.38
P2RX7 Q99572 1/20 0.38
MAOB P27338 3/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
CNR1 P21554 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 1/20 0.36
HSD11B1 P28845 1/20 0.36

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
SCHEMBL527655 1.00 ACP3 (0.42) ACP3CNR2SMN1; SMN2HPGDP2RX7
SCHEMBL2346776 0.85 ACP3 (0.46) ACP3CNR2SMN1; SMN2HPGDMAOB
SCHEMBL2351342 0.85 ACP3 (0.46) ACP3CNR2SMN1; SMN2HPGDMAOB
SCHEMBL2703078 0.85 ACP3 (0.46) ACP3CNR2SMN1; SMN2HPGDMAOB
SCHEMBL8887298 0.84 ACP3 (0.42) ACP3CNR2SMN1; SMN2HPGDMAOB
Hydrochloric Acid SCHEMBL5595953 0.84 ACP3 (0.45) ACP3CNR2SMN1; SMN2HPGDMAOB
SCHEMBL11556739 0.82 FABP4 (0.38) SMN1; SMN2LMNAGAATSHRMAPT
SCHEMBL28969367 0.78 ACP3 (0.45) ACP3CNR2SMN1; SMN2P2RX7LMNA
SCHEMBL5918008 0.76 FABP4 (0.44) ACP3LMNAKMT2A
SCHEMBL28327500 0.76 ACP3 (0.46) ACP3CNR2P2RX7MAOBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111747881-B Two isopentenyl substituted indole alkaloids with alpha-glucosidase inhibition effect, and preparation method and application thereof 济南大学 2023-02-28 CN disclosed
CN-111321095-B Butenolide dimer with alpha-glucosidase inhibition effect and application thereof 济南大学 2021-11-30 CN disclosed
CN-111747881-A Two isopentenyl substituted indole alkaloids with alpha-glucosidase inhibition effect, and preparation method and application thereof 济南大学 2020-10-09 CN disclosed
US-10793581-B2 Stereochemically defined polypropionates and methods for making and using the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-10-06 US disclosed
CN-111334438-A Preparation method of aromatic butenolide dimer and application of aromatic butenolide dimer in preparation of antibacterial drugs 济南大学 2020-06-26 CN disclosed
CN-111321095-A Butenolide dimer with α -glucosidase inhibition effect and application thereof 济南大学 2020-06-23 CN disclosed
CN-111235042-A Butenolide dimer with COX-2 inhibition and antioxidation effects and application thereof 济南大学 2020-06-05 CN disclosed
US-20200055866-A1 STEREOCHEMICALLY DEFINED POLYPROPIONATES AND METHODS FOR MAKING AND USING THE SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-02-20 US disclosed
US-10407439-B2 Stereochemically defined polypropionates and methods for making and using the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-09-10 US disclosed
US-10160768-B2 Stereochemically defined polypropionates and methods for making and using the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-12-25 US disclosed
EP-0524781-A1 Therapeutic amides ZENECA LIMITED (GB) 1993-01-27 EP disclosed
US-5106750-A Enzymatic resolution of hydroxycyclopentenones using lipase G. D. SEARLE & CO. (US) 1992-04-21 US disclosed
US-5064761-A PROCESS FOR THE MANUFACTURE OF 4-ACYLAMINO-3-HYDROXYBUTYRIC ACID ESTERS CIBA-GEIGY CORPORATION (US) 1991-11-12 US disclosed
US-5010189-A Processes for the preparation of 5-amino-4-hydroxy-valeric acid derivatives CIBA-GEIGY CORPORATION (US) 1991-04-23 US disclosed
US-4927507-A Novel process for the manufacture of 4-acyloxy-3-hydroxyethyl-azetidinones CIBA-GEIGY CORPORATION (US) 1990-05-22 US disclosed
EP-0357009-A2 Method of resolution of hydroxy-cyclopentenones using a lipase and transacylation agents G.D. Searle & Co. (US) 1990-03-07 EP disclosed
US-4898977-A Processes for the preparation of 5-amino-4-hydroxyvaleric acid derivatives CIBA-GEIGY CORPORATION (US) 1990-02-06 US disclosed
EP-0319471-A2 Resolution process CIBA-GEIGY AG (CH) 1989-06-07 EP disclosed
WO-1986004897-A1 IMPROVEMENTS IN OR RELATING TO PHEROMONES NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1986-08-28 WO disclosed
EP-0050351-A1 Optically active or racemic alpha-hydroxyaldehydes and benzyl derivatives thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-04-28 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 (4 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-10407439-B2 Stereochemically defined polypropionates and methods for making and using the same FDPS, DHPS, ADCYAP1R1 ACP3 39/4885CNR2 3265/4885SMN1; SMN2 4535/4885
US-20200055866-A1 STEREOCHEMICALLY DEFINED POLYPROPIONATES AND METHODS FOR MAKING AND USING THE SAME FDPS, DHPS, ADCYAP1R1 ACP3 39/4885CNR2 3265/4885SMN1; SMN2 4535/4885
US-10793581-B2 Stereochemically defined polypropionates and methods for making and using the same FDPS, DHPS, ADCYAP1R1 ACP3 39/4885CNR2 3265/4885SMN1; SMN2 4535/4885
US-10160768-B2 Stereochemically defined polypropionates and methods for making and using the same FDPS, DHPS, ADCYAP1R1 ACP3 39/4885CNR2 3265/4885SMN1; SMN2 4535/4885

“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.