SCHEMBL3250700

SCHEMBL3250700

COS(=O)(=O)CCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.48
IDO1 P14902 1/20 0.46
CA9 Q16790 2/20 0.46
CA1 P00915 2/20 0.46
TXNRD1 Q16881 1/20 0.44
POLB P06746 2/20 0.43
ALDH1A1 P00352 2/20 0.42
CA12 O43570 2/20 0.42
CA7 P43166 2/20 0.42
CA14 Q9ULX7 1/20 0.42
KMT2A Q03164 1/20 0.42
CA13 Q8N1Q1 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL812870 0.88 CA2 (0.51) CA2IDO1CA9CA1TXNRD1
SCHEMBL13159223 0.85 MGLL (0.58) CA2CA9CA1CA12CA7
SCHEMBL26719369 0.80 RECQL (0.58) CA2CA9CA1ALDH1A1CA12
SCHEMBL5216850 0.80 TAAR1 (0.42) CA2CA9CA1POLBALDH1A1
SCHEMBL7260130 0.80 ALDH1A1 (0.45) CA2CA9CA1POLBALDH1A1
SCHEMBL16207220 0.79 CA2 (0.53) CA2IDO1CA9CA1ALDH1A1
SCHEMBL260820 0.78 KMT2A (0.61) CA2CA9CA1TXNRD1ALDH1A1
SCHEMBL28197283 0.78 CA2 (0.47) CA2IDO1CA9CA1ALDH1A1
SCHEMBL27930070 0.78 CA2 (0.57) CA2IDO1CA9CA1CA12
SCHEMBL3250721 0.77 ALDH1A1 (0.48) CA2IDO1CA9CA1POLB

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
CN-110218218-A Benzofuran derivative, preparation method and its application in medicine 江苏恒瑞医药股份有限公司 2019-09-10 CN disclosed
CN-105390745-A ENERGY STORAGE DEVICE GS YUASA INT LTD 2016-03-09 CN disclosed
CN-103262326-A Non-aqueous secondary battery HITACHI MAXELL 2013-08-21 CN disclosed
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 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 (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-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 CA2 1149/4885IDO1 527/4885CA9 828/4885

“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.