SCHEMBL2037784

SCHEMBL2037784

CCC(=O)CCC(=O)ON

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 3/20 0.40
TSHR P16473 1/20 0.38
HTR2C P28335 1/20 0.37
CYP1A2 P05177 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
IAPP P10997 1/20 0.31
FFAR3 O14843 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA1A P35348 1/20 0.30

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
Hydrochloric Acid SCHEMBL5552029 0.98 KDM4E (0.45) TDP1KDM4ELMNAALDH1A1TSHR
SCHEMBL27577356 0.86 TSHR (0.42) TDP1KDM4ELMNAALDH1A1TSHR
SCHEMBL3486169 0.84 DGKA (0.42) TDP1LMNAALDH1A1TSHRCYP1A2
SCHEMBL6233402 0.84 KDM4E (0.42) KDM4ELMNATSHRHTR2C
SCHEMBL468549 0.81 TSHR (0.44) KDM4ELMNAALDH1A1TSHRCYP1A2
SCHEMBL619312 0.78 TDP1 (0.69) TDP1KDM4EALDH1A1TSHRNPC1
SCHEMBL27624661 0.77 ALDH1A1 (0.55) TDP1KDM4ELMNAALDH1A1TSHR
SCHEMBL765093 0.77 TSHR (0.68) TDP1KDM4ELMNAALDH1A1TSHR
SCHEMBL2230276 0.76 KMT2A (0.55) TDP1LMNAALDH1A1TSHRHTR2C
SCHEMBL24219 0.76

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9016221-B2 Surface topographies for non-toxic bioadhesion control UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-04-28 US claimed
CN-118103040-A Combination therapy for the treatment of abnormal cell growth 维瑞斯特姆股份有限公司 2024-05-28 CN disclosed
US-11701347-B2 Use of 5-fluoro-4-(4-fluoro-2-methoxyphenyl)-N-{4-[(S-methylsulfonimidoyl)methyl]pyridin-2-yl}pyridin-2-amine for treating diffuse large B-cell lymphoma BAYER AKTIENGESELLSCHAFT (DE) 2023-07-18 US disclosed
EP-3668512-B1 PYRUVATE KINASE MODULATORS AND USE THEREOF AGIOS PHARMACEUTICALS INC (US) 2023-02-15 EP disclosed
US-20210015806-A1 USE OF 5-FLUORO-4-(4-FLUORO-2-METHOXYPHENYL)-N-{4-[(S-METHYLSULFONIMIDOYL)METHYL]PYRIDIN-2-YL}PYRIDIN-2-AMINE FOR TREATING DIFFUSE LARGE B-CELL LYMPHOMA BAYER AKTIENGESELLSCHAFT (DE) 2021-01-21 US disclosed
CN-107787320-B Protein targeting compounds, compositions, methods and uses thereof 拜欧赛里克斯公司 2020-12-04 CN disclosed
EP-3668512-A1 PYRUVATE KINASE MODULATORS AND USE THEREOF Agios Pharmaceuticals, Inc. (US) 2020-06-24 EP disclosed
EP-3607299-A1 OPTOFLUIDIC DEVICE AND METHOD FOR DETECTING CIRCULATING TUMOUR CELLS Universitat Rovira i Virgili (ES) 2020-02-12 EP disclosed
CN-104508486-B Method for determining breast cancer-associated disease state and array for use in the method 伊缪诺维亚公司 2019-06-04 CN disclosed
CN-109406483-A A method of 5-ALA is detected using SERS 福建师范大学 2019-03-01 CN disclosed
WO-2013084061-A1 COMPOSITIONS FOR PHOTODYNAMIC THERAPY CHEMICALLY MODIFIED TO INCREASE EPITHELIA PENETRATION AND CELLULAR BIOAVAILABILITY Yagna Limited (GB) 2013-06-13 WO disclosed
WO-2013059738-A2 USE OF INHIBITORS OF BRUTON'S TYROSINE KINASE (BTK) PHARMACYCLICS, INC. (US) 2013-04-25 WO disclosed
CN-102985557-A Methods and compositions for cell proliferation-related disorders AGIOS PHARMACEUTICALS INC 2013-03-20 CN disclosed
CN-102985044-A System for opening medical blister packs FUTURELOGIX APS 2013-03-20 CN disclosed
WO-2013019681-A2 SELECTIVE DELIVERY MOLECULES AND METHODS OF USE AVELAS BIOSCIENCES, INC. (US) 2013-02-07 WO disclosed
WO-2011089216-A1 DIPEPTIDE-BASED PRODRUG LINKERS FOR ALIPHATIC AMINE-CONTAINING DRUGS ASCENDIS PHARMA AS (DK) 2011-07-28 WO disclosed
WO-2011071892-A2 SURFACES FOR CONTROLLED BIOADHESION, METHODS OF MANUFACTURE THEREOF AND ARTICLES COMPRISING THE SAME UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2011-06-16 WO disclosed
CN-101500649-A A device for and a method of activating a physiologically effective substance by ultrasonic waves, and a capsule KONINKL PHILIPS ELECTRONICS NV (NL) 2009-08-05 CN disclosed
EP-2051776-A2 A DEVICE FOR AND A METHOD OF ACTIVATING A PHYSIOLOGICALLY EFFECTIVE SUBSTANCE BY ULTRASONIC WAVES, AND A CAPSULE Koninklijke Philips Electronics N.V. (NL) 2009-04-29 EP disclosed
WO-2008018019-A2 A DEVICE FOR AND A METHOD OF ACTIVATING A PHYSIOLOGICALLY EFFECTIVE SUBSTANCE BY ULTRASONIC WAVES, AND A CAPSULE KONINKLIJKE PHILIPS ELECTRONICS N. V. (NL) 2008-02-14 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 (2 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-11701347-B2 Use of 5-fluoro-4-(4-fluoro-2-methoxyphenyl)-N-{4-[(S-methylsulfonimidoyl)methyl]pyridin-2-yl}pyridin-2-amine for treating diffuse large B-cell lymphoma BCL6, MYC, BCL6B TDP1 1527/4885KDM4E 48/4885LMNA 327/4885
US-20210015806-A1 USE OF 5-FLUORO-4-(4-FLUORO-2-METHOXYPHENYL)-N-{4-[(S-METHYLSULFONIMIDOYL)METHYL]PYRIDIN-2-YL}PYRIDIN-2-AMINE FOR TREATING DIFFUSE LARGE B-CELL LYMPHOMA BCL6, MYC, BCL6B TDP1 1527/4885KDM4E 48/4885LMNA 327/4885

“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.