SCHEMBL1446992

SCHEMBL1446992

C=C(C(=O)OCC)P(=O)(OCC)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TSHR P16473 3/20 0.44
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
GLO1 Q04760 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SOAT1 P35610 1/20 0.34
PPARD Q03181 1/20 0.34

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
SCHEMBL21626325 0.83 TSHR (0.38) ALDH1A1TSHRCA12CA1CA2
SCHEMBL4411054 0.83 CA12 (0.46) ALDH1A1TSHRCA12CA1CA2
SCHEMBL28635336 0.83 ALDH1A1 (0.44) ALDH1A1TSHRMAPTNPSR1GLO1
SCHEMBL2491743 0.82 TSHR (0.48) TSHRCA12CA1CA2CA9
SCHEMBL5052633 0.78 ALDH1A1 (0.47) ALDH1A1TSHRMAPTNPSR1GLO1
SCHEMBL12708838 0.78 ALDH1A1 (0.47) ALDH1A1TSHRMAPTNPSR1GLO1
SCHEMBL4959544 0.78 CA12 (0.44) ALDH1A1TSHRCA12CA1CA2
SCHEMBL4832633 0.78 CA12 (0.44) ALDH1A1TSHRCA12CA1CA2
SCHEMBL11340361 0.76 TSHR (0.42) ALDH1A1TSHRCA12CA1CA2
SCHEMBL5771982 0.75 CA12 (0.41) ALDH1A1TSHRCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040738-B2 Intermediate compounds of tamiflu, methods of preparation and uses thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2015-05-26 US claimed
US-20140221662-A1 INTERMEDIATE COMPOUNDS OF TAMIFLU, METHODS OF PREPARATION AND USES THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2014-08-07 US claimed
CN-111763157-B Chiral amino compound, preparation method and application thereof, and preparation method for preparing edoxaban intermediate from chiral amino compound 中山大学 2021-10-26 CN disclosed
CN-111763157-A Chiral amino compound, preparation method and application thereof, and preparation method for preparing edoxaban intermediate from chiral amino compound 中山大学 2020-10-13 CN disclosed
US-20150274633-A2 PAIN RELIEF COMPOUNDS UNIVERSITÉ CLERMONT AUVERGNE (FR) 2015-10-01 US disclosed
US-9139514-B2 Process for producing oseltamivir phosphate and intermediate compound SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2015-09-22 US disclosed
US-9139514-B2 Process for producing oseltamivir phosphate and intermediate compound SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2015-09-22 US disclosed
EP-2301911-B1 PROCESS FOR PRODUCING OSELTAMIVIR PHOSPHATE AND INTERMEDIATE COMPOUND SUMITOMO CHEMICAL CO (JP) 2015-08-19 EP disclosed
US-9040738-B2 Intermediate compounds of tamiflu, methods of preparation and uses thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2015-05-26 US disclosed
US-20150038466-A1 PAIN RELIEF COMPOUNDS ECOLE NATIONALE SUPERIEURE DE CHIMIE DE CLERMONT FERRAND (FR) 2015-02-05 US disclosed
US-20140221662-A1 INTERMEDIATE COMPOUNDS OF TAMIFLU, METHODS OF PREPARATION AND USES THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2014-08-07 US disclosed
US-5565441-A AN N-HETEROCYCLE DERIVATIVE; ANTIARTHRITIC AGENTS; DISEASES CHARACTERIZED BY ABNORMAL PHOSPHATE AND CALCIUM METABOLISM; CHRONIC DISEASES THE UPJOHN COMPANY (US) 1996-10-15 US disclosed
EP-0347840-B1 Phosphinic acid derivates BANYU PHARMA CO LTD (JP) 1995-12-27 EP disclosed
EP-0654035-A1 PHOSPHONOACETIC ESTERS AND ACIDS AS ANTI-INFLAMMATORIES. UPJOHN CO (US) 1995-05-24 EP disclosed
WO-1994003463-A1 PHOSPHONOACETIC ESTERS AND ACIDS AS ANTI-INFLAMMATORIES THE UPJOHN COMPANY (US) 1994-02-17 WO disclosed
WO-1993024131-A1 PHOSPONOCARBOXYLATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1993-12-09 WO disclosed
EP-0272583-B1 5-SUBSTITUTED AMINO-4-HYDROXY-PENTENOIC ACID DERIVATIVES AND THEIR USE Banyu Pharmaceutical Co., Ltd. (JP) 1993-09-15 EP disclosed
US-4988681-A Dipeptidase inhibitore; reducing renal toxicity; prevention deactivation of (carba)penem antibiotics BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-01-29 US disclosed
US-4927565-A HYPOTENSIVE AGENT BANYU PHARMACEUTICAL CO., LTD. (JP) 1990-05-22 US disclosed
EP-0347840-A2 Phosphinic acid derivates BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-12-27 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 (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-20150038466-A1 PAIN RELIEF COMPOUNDS OPRL1, OPRK1, TRPV1 ALDH1A1 1007/4885TSHR 2983/4885CA12 1462/4885
US-20150274633-A2 PAIN RELIEF COMPOUNDS OPRL1, OPRK1, TRPV1 ALDH1A1 1007/4885TSHR 2983/4885CA12 1462/4885
US-20140221662-A1 INTERMEDIATE COMPOUNDS OF TAMIFLU, METHODS OF PREPARATION AND USES THEREOF NNMT, FLT3, TPMT ALDH1A1 919/4885TSHR 1123/4885CA12 2795/4885

“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.