SCHEMBL532862

SCHEMBL532862

CCS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.67
CA1 P00915 4/20 0.67
CA2 P00918 4/20 0.67
CA9 Q16790 4/20 0.67
ALDH1A1 P00352 3/20 0.54
HPGD P15428 2/20 0.54
MAPK1 P28482 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
GPR35 Q9HC97 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ALDH5A1 P51649 1/20 0.49
ABAT P80404 1/20 0.49
MAPT P10636 4/20 0.47
KDM4E B2RXH2 2/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL26686794 0.86 GPR35 (0.53) CA12CA1CA2CA9ALDH1A1
SCHEMBL10669752 0.83 CA2 (0.63) CA12CA1CA2CA9ALDH1A1
SCHEMBL8150946 0.82 CA12 (0.71) CA12CA1CA2CA9ALDH1A1
SCHEMBL31080938 0.82 CA12 (0.76) CA12CA1CA2CA9ALDH1A1
SCHEMBL69006 0.82 CA12 (0.76) CA12CA1CA2CA9ALDH1A1
SCHEMBL10527657 0.81 CA2 (0.59) CA12CA1CA2CA9ALDH1A1
SCHEMBL27973770 0.81 MCOLN3 (0.55) ALDH1A1MAPK1SMN1; SMN2TSHRL3MBTL1
SCHEMBL1959737 0.80 CA2 (1.00) CA12CA1CA2CA9ALDH1A1
SCHEMBL51033 0.80 CA12 (0.73) CA12CA1CA2CA9ALDH1A1
SCHEMBL51034 0.80 CA12 (0.73) CA12CA1CA2CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105566182-B A kind of 2 amino 4(Ethylsulfonyl)The synthetic method of phenol 苏州天马精细化学品股份有限公司 2018-02-13 CN claimed
CN-105566182-A Synthetic method of 2-amino-4-(ethylsulfonyl) phenol SUZHOU TIANMA SPECIALTY CHEMICALS CO LTD 2016-05-11 CN claimed
EP-0063101-B1 NITROARYL-ALKYL-SULFONE DERIVATIVES AS GAMETOCIDES CIBA-GEIGY AG (CH) 1987-04-01 EP claimed
US-4459152-A Nitroarylalkylsulfone derivatives as plant growth stimulants CIBA-GEIGY CORPORATION (US) 1984-07-10 US claimed
EP-0063101-A1 Nitroaryl-alkyl-sulfone derivatives as gametocides CIBA-GEIGY AG (CH) 1982-10-20 EP claimed
US-20250145621-A1 1H-PYRROLO[2,3-c]PYRIDIN-7(6H)-ONES AND PYRAZOLO[3,4-c]PYRIDIN-7(6H)-ONES AS INHIBITORS OF BET PROTEINS INCYTE HOLDINGS CORPORATION 2025-05-08 US disclosed
US-12227502-B2 1H-pyrrolo[2,3-c]pyridin-7(6H)-ones and pyrazolo[3,4-c] pyridin-7(6H)-ones as inhibitors of BET proteins INCYTE CORPORATION (US) 2025-02-18 US disclosed
US-20240002381-A1 1H-PYRROLO[2,3-c]PYRIDIN-7(6H)-ONES AND PYRAZOLO[3,4-c]PYRIDIN-7(6H)-ONES AS INHIBITORS OF BET PROTEINS INCYTE CORPORATION 2024-01-04 US disclosed
EP-4218766-A1 1H-PYRROLO[2,3-C]PYRIDIN-7(6H)-ONES AND PYRAZOLO[3,4-C]PYRIDIN-7(6H)-ONES AS INHIBITORS OF BET PROTEINS Incyte Holdings Corporation (US) 2023-08-02 EP disclosed
US-11702416-B2 1H-pyrrolo[2,3-c]pyridin-7(6H)-ones and pyrazolo[3,4-c]pyridin-7(6H)-ones as inhibitors of BET proteins INCYTE CORPORATION (US) 2023-07-18 US disclosed
US-11702416-B2 1H-pyrrolo[2,3-c]pyridin-7(6H)-ones and pyrazolo[3,4-c]pyridin-7(6H)-ones as inhibitors of BET proteins INCYTE CORPORATION (US) 2023-07-18 US disclosed
US-11702416-B2 1H-pyrrolo[2,3-c]pyridin-7(6H)-ones and pyrazolo[3,4-c]pyridin-7(6H)-ones as inhibitors of BET proteins INCYTE CORPORATION (US) 2023-07-18 US disclosed
US-8669249-B2 Poly (ADP-ribose) polymerase (PARP) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-11 US disclosed
US-20120329784-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC 2012-12-27 US disclosed
US-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US disclosed
EP-2415767-A1 Poly (ADP-ribose) Polymerase (PARP) Inhibitors Takeda Pharmaceutical Company Limited (JP) 2012-02-08 EP disclosed
WO-2010111626-A2 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed
EP-0063101-B1 NITROARYL-ALKYL-SULFONE DERIVATIVES AS GAMETOCIDES CIBA-GEIGY AG (CH) 1987-04-01 EP disclosed
US-4459152-A Nitroarylalkylsulfone derivatives as plant growth stimulants CIBA-GEIGY CORPORATION (US) 1984-07-10 US disclosed
EP-0063101-A1 Nitroaryl-alkyl-sulfone derivatives as gametocides CIBA-GEIGY AG (CH) 1982-10-20 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 (6 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-20120329784-A1 COMPOUNDS AND METHODS RB1, DHFR, NQO1 CA12 2461/4885CA1 2832/4885CA2 3675/4885
US-20240002381-A1 1H-PYRROLO[2,3-c]PYRIDIN-7(6H)-ONES AND PYRAZOLO[3,4-c]PYRIDIN-7(6H)-ONES AS INHIBITORS OF BET PROTEINS BRD3, BRD1, BRD2 CA12 4880/4885CA1 4874/4885CA2 4825/4885
US-20250145621-A1 1H-PYRROLO[2,3-c]PYRIDIN-7(6H)-ONES AND PYRAZOLO[3,4-c]PYRIDIN-7(6H)-ONES AS INHIBITORS OF BET PROTEINS BRD3, BRD1, BRD2 CA12 4880/4885CA1 4874/4885CA2 4825/4885
US-11702416-B2 1H-pyrrolo[2,3-c]pyridin-7(6H)-ones and pyrazolo[3,4-c]pyridin-7(6H)-ones as inhibitors of BET proteins BRD3, BRD1, BRD2 CA12 4880/4885CA1 4874/4885CA2 4825/4885
US-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP3 CA12 4257/4885CA1 4440/4885CA2 4368/4885
US-12227502-B2 1H-pyrrolo[2,3-c]pyridin-7(6H)-ones and pyrazolo[3,4-c] pyridin-7(6H)-ones as inhibitors of BET proteins BRD3, BRD1, BRD2 CA12 4880/4885CA1 4874/4885CA2 4825/4885

“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.