SCHEMBL4119963

SCHEMBL4119963

C=CCOC(C)(C)C(=O)OC

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
MAPT P10636 2/20 0.32
TSHR P16473 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
CYP2C19 P33261 1/20 0.31
TP53 P04637 1/20 0.30
RAB9A P51151 1/20 0.30
POLB P06746 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL4122534 0.81 DGAT1 (0.35) DGAT1LMNATP53RAB9A
SCHEMBL2971310 0.80 CYP4F2 (0.47) ALDH1A1LMNATSHR
SCHEMBL19361664 0.78 TSHR (0.33) ALDH1A1TSHRTDP1
SCHEMBL7036743 0.78 TSHR (0.33) ALDH1A1MAPTTSHRCYP2C19TDP1
SCHEMBL10012136 0.77 MAPT (0.35) DGAT1ALDH1A1LMNAADRB2ADRB1
SCHEMBL23943462 0.77 TSHR (0.32) TSHRTDP1
SCHEMBL4119972 0.76 TSHR (0.33) ALDH1A1LMNAMAPTTSHRCACNA1B
SCHEMBL5858394 0.74 ALDH1A1 (0.50) ALDH1A1LMNAMAPTTSHR
SCHEMBL5857277 0.74 ALDH1A1 (0.50) ALDH1A1LMNAMAPTTSHR
SCHEMBL5855843 0.74 ALDH1A1 (0.50) ALDH1A1LMNAMAPTTSHR

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11976083-B2 Inhibitors of peptidylarginine deiminases GILEAD SCIENCES, INC. (US) 2024-05-07 US disclosed
CN-115551862-B Macrocyclic inhibitors of peptidyl arginine deiminase 吉利德科学公司 2024-04-12 CN disclosed
EP-4143189-A1 MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2023-03-08 EP disclosed
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. 2023-01-05 US disclosed
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. 2023-01-05 US disclosed
CN-115551862-A Macrocyclic inhibitors of peptidyl arginine deiminase 吉利德科学公司 2022-12-30 CN disclosed
CN-113943296-A Pyrrolopyrimidine derivatives and uses thereof 武汉人福创新药物研发中心有限公司 2022-01-18 CN disclosed
WO-2021222353-A1 MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2021-11-04 WO disclosed
US-10449258-B2 Antibody drug conjugate, intermediate, preparation method, pharmaceutical composition and uses thereof XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2019-10-22 US disclosed
US-20180161446-A1 ANTIBODY DRUG CONJUGATE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USES THEREOF XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2018-06-14 US disclosed
US-20180161446-A1 ANTIBODY DRUG CONJUGATE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USES THEREOF XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2018-06-14 US disclosed
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
EP-1939205-A1 TRICYCLIC COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-07-02 EP disclosed
EP-1939205-A1 TRICYCLIC COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-07-02 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 (5 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-10449258-B2 Antibody drug conjugate, intermediate, preparation method, pharmaceutical composition and uses thereof FCGR3B, SI, INCENP DGAT1 1775/4885ALDH1A1 567/4885LMNA 800/4885
US-11976083-B2 Inhibitors of peptidylarginine deiminases PADI4, PADI2, PADI1 DGAT1 675/4885ALDH1A1 2537/4885LMNA 2684/4885
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES PADI4, PADI2, PADI1 DGAT1 675/4885ALDH1A1 2537/4885LMNA 2684/4885
US-20180161446-A1 ANTIBODY DRUG CONJUGATE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USES THEREOF FCGR3B, SI, INCENP DGAT1 1775/4885ALDH1A1 567/4885LMNA 800/4885
US-20090181942-A1 TRICYCLIC COMPOUNDS FDFT1, COASY, HMGCR DGAT1 322/4885ALDH1A1 1587/4885LMNA 1109/4885

“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.