SCHEMBL16620806

SCHEMBL16620806

O=C(CCCC(Cc1ccccc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.59
CPA3 P15088 3/20 0.58
SLC15A1 P46059 2/20 0.54
CYP1A2 P05177 2/20 0.54
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CPA1 P15085 3/20 0.49
CPB1 P15086 1/20 0.49
CPB2 Q96IY4 1/20 0.49
HRH4 Q9H3N8 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ABCC3 O15438 1/20 0.46
NR1I2 O75469 1/20 0.46
ABCB11 O95342 1/20 0.46
NR3C1 P04150 1/20 0.46
RARG P13631 1/20 0.46

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
SCHEMBL20960093 0.92 ALDH1A1 (0.54) FOLH1CPA3SLC15A1CYP1A2ALDH1A1
SCHEMBL16144031 0.88 MEN1 (0.52) FOLH1CPA3SLC15A1CYP1A2ALDH1A1
SCHEMBL22483207 0.88 ALDH1A1 (0.53) FOLH1CPA3SLC15A1CYP1A2ALDH1A1
SCHEMBL20943333 0.87 ALDH1A1 (0.51) FOLH1CPA3SLC15A1ALDH1A1MAPK1
SCHEMBL20943329 0.87 ALDH1A1 (0.51) FOLH1CPA3SLC15A1ALDH1A1MAPK1
SCHEMBL20943382 0.83 ALDH1A1 (0.55) SLC15A1ALDH1A1MAPK1L3MBTL1CYP3A4
SCHEMBL20943371 0.83 MMP3 (0.47) FOLH1SLC15A1ALDH1A1MAPK1L3MBTL1
SCHEMBL20960092 0.82 ALDH1A1 (0.44) FOLH1SLC15A1CYP1A2ALDH1A1MAPK1
SCHEMBL13764233 0.82 ALDH1A1 (0.53) SLC15A1ALDH1A1MAPK1L3MBTL1
SCHEMBL16568776 0.81 SLC15A1 (0.72) FOLH1CPA3SLC15A1CYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3052134-B1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES MERCK SHARP & DOHME (US) 2021-05-05 EP disclosed
CN-105792852-B Glucose-responsive insulin conjugates 默沙东公司 2019-12-10 CN disclosed
US-20180110863-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES MERCK SHARP & DOHME CORP. (US) 2018-04-26 US disclosed
EP-3280450-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES Merck Sharp & Dohme Corp. (US) 2018-02-14 EP disclosed
US-9889205-B2 Glucose-responsive insulin conjugates MERCK SHARP & DOHME CORP. (US) 2018-02-13 US disclosed
US-9884125-B2 Glucose-responsive insulin conjugates MERCK SHARP & DOHME CORP. (US) 2018-02-06 US disclosed
US-20160303244-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES MERCK SHARP & DOHME CORP. (US) 2016-10-20 US disclosed
WO-2016164288-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES MERCK SHARP & DOHME CORP. (US) 2016-10-13 WO disclosed
US-20160251407-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES MERCK SHARP & DOHME CORP. (US) 2016-09-01 US disclosed
US-9427475-B2 Glucose-responsive insulin conjugates MERCK SHARP & DOHME CORP. (US) 2016-08-30 US disclosed
EP-3052134-A2 GLUCOSE-RESPONSIVE INSULIN CONJUGATES Merck Sharp & Dohme Corp. (US) 2016-08-10 EP disclosed
US-20150105317-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES MERCK SHARP & DOHME LLC 2015-04-16 US disclosed
WO-2015051052-A2 GLUCOSE-RESPONSIVE INSULIN CONJUGATES MERCK SHARP & DOHME CORP. (US) 2015-04-09 WO 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-20180110863-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES GPR119, INSR, IRS1 FOLH1 556/4885CPA3 2321/4885SLC15A1 1334/4885
US-20150105317-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES GPR119, INSR, IRS1 FOLH1 604/4885CPA3 1777/4885SLC15A1 1308/4885
US-20160251407-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES GPR119, INSR, IRS1 FOLH1 553/4885CPA3 2146/4885SLC15A1 1290/4885
US-20160303244-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES GPR119, INSR, IRS1 FOLH1 604/4885CPA3 1777/4885SLC15A1 1308/4885

“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.