SCHEMBL304126

SCHEMBL304126

C[CH]OC(=O)OCC(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.48
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
NFKB1 P19838 1/20 0.38
PTGS1 P23219 1/20 0.38
APEX1 P27695 1/20 0.38
THPO P40225 1/20 0.38
PMP22 Q01453 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RAB9A P51151 1/20 0.32
P2RX4 Q99571 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL7417774 0.82 TSHR (0.48) TSHRALDH1A1TDP1MEN1LMNA
SCHEMBL698511 0.81 MAPT (0.42) TSHRALDH1A1MAPT
SCHEMBL4203569 0.80 TSHR (0.47) TSHRALDH1A1TDP1MEN1LMNA
SCHEMBL285034 0.80 TSHR (0.57) TSHRALDH1A1TDP1MEN1LMNA
SCHEMBL25435787 0.80 TSHR (0.54) TSHRALDH1A1TDP1MEN1LMNA
SCHEMBL37351 0.80 TSHR (0.54) TSHRALDH1A1TDP1MEN1LMNA
SCHEMBL697642 0.78 CA1 (0.41) TSHRALDH1A1TDP1LMNAKMT2A
SCHEMBL22556013 0.78 PRKCA (0.30)
SCHEMBL6896110 0.78 TSHR (0.40) TSHRALDH1A1TDP1LMNACYP3A4
SCHEMBL451856 0.78 TSHR (0.45) TSHRALDH1A1TDP1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2189443-B1 TRICYCLIC AMIDE COMPOUND RES FOUND ITSUU LAB (JP) 2013-10-23 EP claimed
US-7687490-B2 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2010-03-30 US claimed
EP-1870412-A1 2-THIOETHENYL CARBAPENEM DERIVATIVE MEIJI SEIKA KAISHA LTD. (JP) 2007-12-26 EP claimed
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2007-01-04 US claimed
US-5616600-A Griseolic acid compounds and their use as a phosphodiesterase inhibitor SANKYO COMPANY, LIMITED (JP) 1997-04-01 US claimed
US-5491167-A INHIBITORS OF CHOLESTEROL BIOSYNTHESIS SANKYO COMPANY, LIMITED (JP) 1996-02-13 US claimed
US-5480987-A 2-substituted alkyl-3-carboxy carbapenems as antibiotics and a method of producing them AMERICAN CYANAMID COMPANY (US) 1996-01-02 US claimed
US-5369102-A B-lactamase inhibitors AMERICAN CYANAMID COMPANY (US) 1994-11-29 US claimed
EP-0478874-A2 Novel 2-substituted alkyl-3-carboxy carbapenems as antibiotics and a method of producing them AMERICAN CYANAMID COMPANY (US) 1992-04-08 EP claimed
US-5068232-A Bactericides AMERICAN CYANAMID COMPANY (US) 1991-11-26 US claimed
US-20240131180-A1 DRUG ANTIBODY CONJUGATES PHARMA MAR, S.A. (ES) 2024-04-25 US disclosed
EP-4025253-B1 DRUG ANTIBODY CONJUGATES PHARMA MAR SA (ES) 2024-03-20 EP disclosed
US-20230218774-A1 DRUG ANTIBODY CONJUGATES PHARMA MAR, S.A. (ES) 2023-07-13 US disclosed
EP-4138923-A1 DRUG ANTIBODY CONJUGATES Pharma Mar, S.A. (ES) 2023-03-01 EP disclosed
US-20230012681-A1 ANTIBODY DRUG CONJUGATES COMPRISING ECTEINASCIDIN DERIVATIVES PHARMA MAR, S.A. (ES) 2023-01-19 US disclosed
EP-0165384-A1 Carbapenem derivatives, their preparation and compositions containing them SANKYO COMPANY LIMITED (JP) 1985-12-27 EP disclosed
US-4552873-A BACTERICIDES SANKYO COMPANY LIMITED (JP) 1985-11-12 US disclosed
US-4395418-A 6-HYDROXYETHYL SUBSTITUTED ANTIBIOTICS SANKYO COMPANY LIMITED (JP) 1983-07-26 US disclosed
EP-0072710-A1 Carbapenem derivatives, their preparation and compositions containing them SANKYO COMPANY LIMITED (JP) 1983-02-23 EP disclosed
EP-0069373-A1 (5R, 6R)-Penem compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1983-01-12 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-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM TSHR 1341/4885ALDH1A1 1182/4885TDP1 3001/4885
US-20240131180-A1 DRUG ANTIBODY CONJUGATES STT3B, STT3A, TTL TSHR 1530/4885ALDH1A1 785/4885TDP1 1196/4885
US-20230012681-A1 ANTIBODY DRUG CONJUGATES COMPRISING ECTEINASCIDIN DERIVATIVES HDGF, XPOT, TXLNA TSHR 1620/4885ALDH1A1 1158/4885TDP1 1388/4885
US-20230218774-A1 DRUG ANTIBODY CONJUGATES B3GAT3, MGAT3, SDAD1 TSHR 1572/4885ALDH1A1 162/4885TDP1 2316/4885

“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.