SCHEMBL6227705

SCHEMBL6227705

Cn1cnc2ccc(S(=O)(=O)O)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.45
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
CHRNA7 P36544 1/20 0.39
NOTUM Q6P988 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
PRKCI P41743 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.38
ALDH3A1 P30838 1/20 0.38

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
SCHEMBL5339617 0.87 ALDH1A1 (0.51) ALDH1A1MAPTHDAC1HDAC8HDAC3
SCHEMBL25212713 0.83 DYRK1A (0.45) DYRK1AALDH1A1MAPTNOTUMHDAC1
SCHEMBL30991749 0.83 DYRK1A (0.45) DYRK1AALDH1A1MAPTNOTUMHDAC1
Pyrrole SCHEMBL10572488 0.79 HDAC1 (0.47) ALDH1A1MAPTNOTUMHDAC1HDAC8
SCHEMBL2058867 0.75 FGFR1 (0.61) ALDH1A1HTT
SCHEMBL5885547 0.75 PTGDR (0.39) ALDH1A1MAPTPOLBKMT2ALMNA
SCHEMBL29522878 0.74 DYRK1A (0.53) DYRK1AALDH1A1MAPTNOTUMPRKCI
SCHEMBL2739230 0.74 DYRK1A (0.53) DYRK1AALDH1A1MAPTNOTUMPRKCI
SCHEMBL1627958 0.74 PTGDR (0.39) ALDH1A1MAPTPOLBKMT2ALMNA
SCHEMBL4750976 0.74 CASP3 (0.40) ALDH1A1MAPTHDAC6KMT2ALMNA

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
CN-109721462-B Method for preparing long-chain alkyl benzene 中国石油化工股份有限公司 2022-03-11 CN disclosed
CN-109722282-B Method for preparing alkylate 中国石油化工股份有限公司 2021-05-14 CN disclosed
CN-109721582-B Preparation method of 1, 3-oxacycloalkane 中国石油化工股份有限公司 2020-11-13 CN disclosed
CN-109721584-B Method for preparing 1, 4-dioxane 中国石油化工股份有限公司 2020-07-28 CN disclosed
EP-1112254-B1 CYANINE DYES AND SYNTHESIS METHODS THEREOF NEN LIFE SCIENCE PROD INC (US) 2013-02-27 EP disclosed
EP-1112254-A4 CYANINE DYES AND SYNTHESIS METHODS THEREOF NEN LIFE SCIENCE PROD INC (US) 2005-03-16 EP disclosed
US-6437141-B2 FOR LABELING TARGET MOLECULES NEN LIFE SCIENCE PRODUCTS, INC. 2002-08-20 US disclosed
US-20010020098-A1 For labeling target molecules NEN LIFE SCIENCE PRODUCTS, INC. 2001-09-06 US disclosed
EP-1112254-A2 CYANINE DYES AND SYNTHESIS METHODS THEREOF NEN Life Science Products, Inc. (US) 2001-07-04 EP disclosed
US-6224644-B1 CYANINE DYES INCLUDES FREE OR PROTECTED THIOL, AMINE OR HYDROXY SUBSTITUENT CAPABLE OF REACTING WITH A TARGET MOLECULE THROUGH A NEUCLOPHILIC DISPLACEMENT, USEFUL IN LABELING A VARIETY OF TARGET MOLECULES NEN LIFE SCIENCE PRODUCTS, INC. 2001-05-01 US disclosed
US-6204389-B1 DEBLOCKING; NUCLEOPHILIC DISPLACEMENT NEN LIFE SCIENCE PRODUCTS, INC. 2001-03-20 US disclosed
US-6197956-B1 FLUORESCENT BENZIMIDAZOLE, BENZOTHIAZOLE, BENZOXAZOLE, BENZOTHIAZINE, BENZOXAZINE AND QUINOLINE DYES NEN LIFE SCIENCE PRODUCTS, INC. 2001-03-06 US disclosed
WO-2000063296-A2 CYANINE DYES AND SYNTHESIS METHODS THEREOF NEN LIFE SCIENCE PRODUCTS, INC. (US) 2000-10-26 WO disclosed
US-6114350-A Cyanine dyes and synthesis methods thereof NEN LIFE SCIENCE PRODUCTS, INC. (US) 2000-09-05 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-20010020098-A1 For labeling target molecules CYC1, THEM6, TPH1 DYRK1A 3357/4885ALDH1A1 103/4885MAPT 4126/4885

“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.