SCHEMBL18334378

SCHEMBL18334378

O=C(O)CCC[C@H](F)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.56
LMNA P02545 2/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
PMP22 Q01453 1/20 0.46
FOLH1 Q04609 3/20 0.45
ENPEP Q07075 2/20 0.45
GSTK1 Q9Y2Q3 2/20 0.45
TET2 Q6N021 3/20 0.42
KDM4A O75164 2/20 0.42
KDM4C Q9H3R0 2/20 0.42
KDM2A Q9Y2K7 2/20 0.42
TET3 O43151 1/20 0.42
CAMK2A Q9UQM7 1/20 0.42
CYP1A2 P05177 2/20 0.41
GRM8 O00222 1/20 0.41
GRM6 O15303 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41

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
SCHEMBL18334377 1.00 MAPT (0.56) MAPTLMNASLC22A6TSHRNFKB1
SCHEMBL22826568 0.93 MAPT (0.59) MAPTLMNASLC22A6TSHRNFKB1
SCHEMBL30816384 0.91 MAPT (0.63) MAPTLMNASLC22A6TSHRNFKB1
SCHEMBL8639483 0.91 MAPT (0.63) MAPTLMNASLC22A6TSHRNFKB1
SCHEMBL2801076 0.84 TET2 (0.52) MAPTLMNAFOLH1TET2KDM4A
SCHEMBL18334357 0.84 TET2 (0.52) MAPTLMNAFOLH1TET2KDM4A
SCHEMBL9620776 0.84 MAPT (0.73) MAPTFOLH1GSR
SCHEMBL9621069 0.81 MAPT (0.77) MAPTFOLH1GSTK1GSR
SCHEMBL9620682 0.81 MAPT (0.77) MAPTFOLH1GSTK1GSR
SCHEMBL9620798 0.81 MAPT (0.77) MAPTFOLH1GSTK1GSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3109230-B1 CLASS OF CARBOXYLIC ACID DERIVATIVES AND USE THEREOF IN PREPARATION OF PRODRUGS LI QINGENG (CN) 2019-11-20 EP disclosed
EP-3109229-B1 WATER-SOLUBLE PROPOFOL DERIVATIVES AND USES THEREOF JIANGSU NHWALUOKANG PHARMACEUTICAL RES AND DEVELOPMENT CO LTD (CN) 2019-06-05 EP disclosed
US-10239851-B2 Carboxylic acid derivatives and use thereof in the preparation of prodrugs Li, Qingeng (CN) 2019-03-26 US disclosed
CN-106029631-B Carboxylic acid derivatives and application thereof in preparing prodrugs 李勤耕 2018-12-28 CN disclosed
CN-106132922-B A kind of water solubility propofol derivative and application thereof 江苏恩华络康药物研发有限公司 2018-12-04 CN disclosed
US-9643917-B2 Water-soluble propofol derivatives and uses thereof JIANGSU NHWALUOKANG PHARMCEUTICAL RESEARCH AND DEVELOPMENT CO., LTD (CN) 2017-05-09 US disclosed
US-20170057939-A1 CARBOXYLIC ACID DERIVATIVES AND USE THEREOF IN THE PREPARATION OF PRODRUGS LI, Qingeng (CN) 2017-03-02 US disclosed
US-20170050920-A1 WATER-SOLUBLE PROPOFOL DERIVATIVES AND USES THEREOF JIANGSU NHWALUOKANG PHARMCEUTICAL RESEARCH AND DEVELOPMENT CO., LTD (CN) 2017-02-23 US disclosed
EP-3109230-A1 CLASS OF CARBOXYLIC ACID DERIVATIVES AND USE THEREOF IN PREPARATION OF PRODRUGS Li, Qingeng (CN) 2016-12-28 EP disclosed
EP-3109229-A1 WATER-SOLUBLE PROPOFOL DERIVATIVES AND USES THEREOF Jiangsu Nhwaluokang Pharmceutical Research and Development Co. Ltd. (CN) 2016-12-28 EP disclosed
CN-106132922-A One class water solublity propofol derivative and application thereof 江苏恩华络康药物研发有限公司 2016-11-16 CN disclosed
CN-106029631-A Carboxylic acid derivatives and application thereof in preparing prodrugs 李勤耕 2016-10-12 CN 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-10239851-B2 Carboxylic acid derivatives and use thereof in the preparation of prodrugs NR4A3, HCAR3, FFAR3 MAPT 4821/4885LMNA 4750/4885SLC22A6 690/4885
US-20170050920-A1 WATER-SOLUBLE PROPOFOL DERIVATIVES AND USES THEREOF OPRM1, OPRD1, SIGMAR1 MAPT 4394/4885LMNA 4134/4885SLC22A6 499/4885
US-20170057939-A1 CARBOXYLIC ACID DERIVATIVES AND USE THEREOF IN THE PREPARATION OF PRODRUGS NR4A3, HCAR3, NR4A2 MAPT 4816/4885LMNA 4773/4885SLC22A6 658/4885

“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.