SCHEMBL140210

SCHEMBL140210

CCOC(=O)C(C)(C(=O)OCC)c1ccc(N)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
FBP1 P09467 1/20 0.36
ABCB11 O95342 1/20 0.36
HTR2A P28223 1/20 0.36
PMP22 Q01453 1/20 0.36
PPARA Q07869 1/20 0.36
KCNQ3 O43525 2/20 0.36
KCNQ2 O43526 2/20 0.36
KCNQ4 P56696 2/20 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
SCHEMBL30853648 1.00 TSHR (0.36) TSHRMAPTKDM4ENPC1RAB9A
SCHEMBL11156490 0.95 POLB (0.37) MAPTKDM4EHDAC1HDAC6ALDH1A1
SCHEMBL11149555 0.89 HDAC1 (0.36) TSHRHDAC1HDAC6ALDH1A1HSD17B10
SCHEMBL14035562 0.88 CNR2 (0.45) TSHRMAPTKDM4ENPC1RAB9A
SCHEMBL30192734 0.88 CNR2 (0.45) TSHRMAPTKDM4ENPC1RAB9A
SCHEMBL11152319 0.87 HDAC1 (0.36) HDAC1HDAC6ALDH1A1
SCHEMBL11162250 0.86 ALDH1A1 (0.42) TSHRMAPTKDM4ENPC1RAB9A
SCHEMBL112752 0.86 KCNQ3 (0.37) TSHRMAPTKDM4ENPC1RAB9A
SCHEMBL11147503 0.85 ALDH1A1 (0.42) TSHRMAPTKDM4ENPC1RAB9A
SCHEMBL11150640 0.85 HDAC1 (0.37) TSHRSMN1; SMN2HDAC1HDAC6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0032620-B2 Process for preparing therapeutic 2-arylpropionic acids and esters, and novel arylmethylmalonate esters THE UPJOHN COMPANY (US) 1987-02-04 EP claimed
EP-0032620-B1 Process for preparing therapeutic 2-arylpropionic acids and esters, and novel arylmethylmalonate esters THE UPJOHN COMPANY (US) 1984-05-30 EP claimed
US-4398035-A INTERMEDIATE FOR FLURBIPROFEN THE UPJOHN COMPANY (US) 1983-08-09 US claimed
EP-0032620-A1 Process for preparing therapeutic 2-arylpropionic acids and esters, and novel arylmethylmalonate esters THE UPJOHN COMPANY (US) 1981-07-29 EP claimed
JP-57016830-A None JP disclosed
CN-117645535-A Flurbiprofen intermediate and preparation method of flurbiprofen 河北鼎泰制药有限公司 2024-03-05 CN disclosed
WO-2021042411-A1 AKR1C3 INHIBITOR OR PHARMACEUTICALLY ACCEPTABLE SALT OF SAME, PREPARATION METHOD FOR SAME, AND USES THEREOF 中国药科大学 2021-03-11 WO disclosed
CN-110590548-B AKR1C3 inhibitor or pharmaceutically acceptable salt thereof, preparation method and application thereof 中国药科大学 2020-09-08 CN disclosed
CN-110590548-A AKR1C3 inhibitor or pharmaceutically acceptable salt thereof, preparation method and application thereof 中国药科大学 2019-12-20 CN disclosed
US-20120058984-A1 PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-08 US disclosed
EP-2408769-A1 PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS Glaxo Group Limited (GB) 2012-01-25 EP disclosed
EP-0100120-B1 IMPROVEMENT IN THE PROCESS FOR PREPARING BIARYL COMPOUNDS VIA COUPLING OF AN ARYLAMINE WITH AN ARENE Nobel Chemicals AB (SE) 1988-02-03 EP disclosed
US-4542233-A Process for preparing biaryl compounds via coupling of an arylamine with an arene BIASCHIM S.P.A. (IT) 1985-09-17 US disclosed
EP-0032620-B1 Process for preparing therapeutic 2-arylpropionic acids and esters, and novel arylmethylmalonate esters THE UPJOHN COMPANY (US) 1984-05-30 EP disclosed
EP-0100120-A1 Improvement in the process for preparing biaryl compounds via coupling of an arylamine with an arene Nobel Chemicals AB (SE) 1984-02-08 EP disclosed
US-4398035-A INTERMEDIATE FOR FLURBIPROFEN THE UPJOHN COMPANY (US) 1983-08-09 US disclosed
US-4324904-A COMPOUND USEFUL IN MAKING FLURBIPROFEN THE UPJOHN COMPANY (US) 1982-04-13 US disclosed
JP-S5716830-A PREPARATION OF BIPHENYL DERIVATIVE SAGAMI CHEM RES CENTER 1982-01-28 JP disclosed
EP-0032620-A1 Process for preparing therapeutic 2-arylpropionic acids and esters, and novel arylmethylmalonate esters THE UPJOHN COMPANY (US) 1981-07-29 EP disclosed
US-4266069-A Processes for the preparation of hydratropic acids and esters THE UPJOHN COMPANY (US) 1981-05-05 US 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 (1 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-20120058984-A1 PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS DTYMK, ITK, DCK TSHR 4376/4885MAPT 3703/4885KDM4E 2022/4885

“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.