SCHEMBL209395

SCHEMBL209395

COc1ccc(CNCC(=O)OCc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.59
MEN1 O00255 3/20 0.59
ATM Q13315 2/20 0.59
NPC1 O15118 4/20 0.55
BCHE P06276 1/20 0.54
ALDH1A1 P00352 4/20 0.53
HTT P42858 2/20 0.51
RAB9A P51151 2/20 0.50
KDM4E B2RXH2 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GAA P10253 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL5369633 0.88 ALDH1A1 (0.59) KMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL5369625 0.87 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1
SCHEMBL3856253 0.83 SMN1; SMN2 (0.59) KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL1251880 0.82 KDM4E (0.53) KMT2AMEN1ATMKDM4ESMN1; SMN2
SCHEMBL206952 0.82 MEN1 (0.57) KMT2AMEN1ATMNPC1ALDH1A1
SCHEMBL11453114 0.82 ALDH1A1 (0.56) KMT2AATMNPC1ALDH1A1RAB9A
SCHEMBL6560866 0.82 HIF1A (0.56) KMT2AATMNPC1ALDH1A1RAB9A
SCHEMBL3498807 0.82 BCHE (0.67) KMT2AMEN1NPC1BCHERAB9A
SCHEMBL548 0.81 LTA4H (0.64) BCHEALDH1A1SMN1; SMN2
SCHEMBL11684699 0.81 ALDH1A1 (0.74) ATMNPC1ALDH1A1HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3444237-B1 IRIDINESULFONAMIDE COMPOUND AND USE METHOD THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2020-10-28 EP disclosed
EP-3444237-A1 IRIDINESULFONAMIDE COMPOUND AND USE METHOD THEREOF Chai Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-02-20 EP disclosed
WO-2017162156-A1 IRIDINESULFONAMIDE COMPOUND AND USE METHOD THEREOF 正大天晴药业集团股份有限公司 2017-09-28 WO disclosed
US-8088923-B2 Cyclic-fused beta-lactones and their synthesis THE TEXAS A&M UNIVERSITY SYSTEM (US) 2012-01-03 US disclosed
US-8088923-B2 Cyclic-fused beta-lactones and their synthesis THE TEXAS A&M UNIVERSITY SYSTEM (US) 2012-01-03 US disclosed
US-20090062547-A1 CYCLIC-FUSED BETA-LACTONES AND THEIR SYNTHESIS THE TEXAS A&M UNIVERSITY SYSTEM 2009-03-05 US disclosed
US-20090062547-A1 CYCLIC-FUSED BETA-LACTONES AND THEIR SYNTHESIS THE TEXAS A&M UNIVERSITY SYSTEM 2009-03-05 US 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 (1 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-20090062547-A1 CYCLIC-FUSED BETA-LACTONES AND THEIR SYNTHESIS COASY, FASN, OTUB1 KMT2A 2478/4885MEN1 3332/4885ATM 4244/4885

“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.