SCHEMBL16620624

SCHEMBL16620624

O=C(CCCOCc1ccccc1)NCCCCOCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 2/20 0.56
TSHR P16473 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
EPHX2 P34913 2/20 0.54
KDM4E B2RXH2 1/20 0.54
HPGD P15428 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
NCOR2 Q9Y618 2/20 0.50

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
SCHEMBL8099440 0.90 HDAC3 (0.57) LMNATSHRL3MBTL1EPHX2KDM4E
SCHEMBL17117375 0.90 TAAR1 (0.72) TAAR1LMNATSHRL3MBTL1KDM4E
SCHEMBL3356126 0.88 SMN1; SMN2 (0.58) TAAR1SMN1; SMN2LMNATSHRL3MBTL1
SCHEMBL15894527 0.87 LMNA (0.53) TAAR1SMN1; SMN2LMNATSHRL3MBTL1
SCHEMBL17117263 0.86 GAA (0.70) LMNATSHRL3MBTL1EPHX2MEN1
SCHEMBL29025356 0.84 EPHX2 (0.57) SMN1; SMN2LMNATSHRL3MBTL1EPHX2
SCHEMBL7758247 0.84 SMN1; SMN2 (0.50) TAAR1SMN1; SMN2LMNATSHRL3MBTL1
SCHEMBL25375626 0.83 LMNA (0.55) SMN1; SMN2LMNATSHRL3MBTL1EPHX2
SCHEMBL7694478 0.83 L3MBTL1 (0.58) SMN1; SMN2LMNAL3MBTL1EPHX2HTT
SCHEMBL29657694 0.82 EPHX2 (0.47) LMNATSHREPHX2HDAC3HDAC1

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 14 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
CN-105792852-A Glucose-responsive insulin conjugates 默沙东公司 2016-07-20 CN 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 TAAR1 3172/4885SMN1; SMN2 1229/4885LMNA 3810/4885
US-20150105317-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES GPR119, INSR, IRS1 TAAR1 3151/4885SMN1; SMN2 1545/4885LMNA 3539/4885
US-20160251407-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES GPR119, INSR, IRS1 TAAR1 3056/4885SMN1; SMN2 1595/4885LMNA 3920/4885
US-20160303244-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES GPR119, INSR, IRS1 TAAR1 3151/4885SMN1; SMN2 1545/4885LMNA 3539/4885

“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.