SCHEMBL4838474

SCHEMBL4838474

Cc1ccc(S(=O)(=O)Oc2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 14/20 0.72
P2RY2 P41231 6/20 0.64
TSHR P16473 1/20 0.51
ACHE P22303 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL31572348 1.00 GPR17 (0.72) GPR17P2RY2TSHRACHECYP1A2
SCHEMBL7335028 0.88 GPR17 (0.69) GPR17P2RY2
SCHEMBL8818922 0.86 GPR17 (0.65) GPR17P2RY2TSHRACHE
SCHEMBL8819570 0.85 GPR17 (0.61) GPR17P2RY2TSHRACHE
SCHEMBL29155254 0.85 GPR17 (0.56) GPR17P2RY2
SCHEMBL29155194 0.85 GPR17 (0.59) GPR17P2RY2
Dinitrophenylene SCHEMBL27503833 0.82 CYP1A2 (0.57) GPR17P2RY2TSHRACHECYP1A2
SCHEMBL2234824 0.81 HSP90AA1 (0.63) GPR17ACHE
SCHEMBL29413045 0.81 KMT2A (0.54) GPR17P2RY2TSHRACHE
SCHEMBL1061125 0.81 HSP90AA1 (0.63) GPR17ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114213637-A Synthetic method of high-molecular-weight polylactic acid 江苏睿安应用生物技术股份有限公司 2022-03-22 CN claimed
CN-121578590-A Composition for forming lower layer film of patterning material and lower layer film of patterning material 珠海基石科技有限公司 2026-02-27 CN disclosed
US-20240158424-A1 METHOD FOR PRODUCING DIPHOSPHINE MONOXIDE TAKASAGO INTERNATIONAL CORPORATION (JP) 2024-05-16 US disclosed
CN-117986406-A Preparation method and application of mono 2-O-p-toluenesulfonyl-beta-cyclodextrin ester 南昌大学 2024-05-07 CN disclosed
EP-4361162-A2 METHOD FOR PRODUCING DIPHOSPHINE MONOXIDE Takasago International Corporation (JP) 2024-05-01 EP disclosed
CN-114213637-A Synthetic method of high-molecular-weight polylactic acid 江苏睿安应用生物技术股份有限公司 2022-03-22 CN disclosed
US-7375095-B2 Sugar derivative KABASHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU (JP) 2008-05-20 US disclosed
US-20040254367-A1 Sugar derivative KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENYUJO (JP) 2004-12-16 US disclosed
EP-1460081-A1 SUGAR DERIVATIVE Kabushiki Kaisha Hayashibara Seibutsu Kagaku Kenkyujo (JP) 2004-09-22 EP disclosed
EP-0518930-A4 CYCLODEXTRIN COMPOSITIONS AND METHODS FOR PHARMACEUTICAL AND INDUSTRIAL APPLICATIONS 1993-09-15 EP disclosed
EP-0518930-A1 CYCLODEXTRIN COMPOSITIONS AND METHODS FOR PHARMACEUTICAL AND INDUSTRIAL APPLICATIONS AUSTRALIAN COMMERCIAL RESEARCH & DEVELOPMENT LIMITED (AU) 1992-12-23 EP disclosed
WO-1991013100-A1 CYCLODEXTRIN COMPOSITIONS AND METHODS FOR PHARMACEUTICAL AND INDUSTRIAL APPLICATIONS AUSTRALIAN COMMERCIAL RESEARCH & DEVELOPMENT LIMITED (AU) 1991-09-05 WO disclosed
US-4777250-A LOW MOLECULAR WEIGHT; STABLE NORTHWESTERN UNIVERSITY (US) 1988-10-11 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 (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-20240158424-A1 METHOD FOR PRODUCING DIPHOSPHINE MONOXIDE TDO2, SCO2, DUOX1 GPR17 2714/4885P2RY2 1104/4885TSHR 4075/4885
US-20040254367-A1 Sugar derivative FUT5, FUT6, MAN1B1 GPR17 1696/4885P2RY2 1094/4885TSHR 2164/4885

“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.