SCHEMBL1901207

SCHEMBL1901207

O=[N+]([O-])c1ccc(OP(=O)(S)c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CES2 O00748 1/20 0.57
CES1 P23141 1/20 0.57
ALDH1A1 P00352 5/20 0.53
LMNA P02545 3/20 0.53
CYP3A4 P08684 2/20 0.53
MAPK1 P28482 2/20 0.53
HSD17B10 Q99714 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TP53 P04637 1/20 0.53
THRB P10828 1/20 0.53
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
TSHR P16473 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
HTT P42858 1/20 0.45
MEN1 O00255 5/20 0.44

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
SCHEMBL548571 0.85 L3MBTL1 (0.63) CA1CA2CES2CES1ALDH1A1
SCHEMBL10405347 0.85 CA1 (0.59) CA1CA2CES2CES1ALDH1A1
SCHEMBL21815508 0.83 L3MBTL1 (0.67) CA1CA2CES2CES1ALDH1A1
SCHEMBL3920864 0.82 CA1 (0.56) CA1CA2CES2CES1ALDH1A1
SCHEMBL548572 0.82 CA1 (0.65) CA1CA2CES2CES1ALDH1A1
SCHEMBL11102906 0.82 CA1 (0.56) CA1CA2CES2CES1ALDH1A1
SCHEMBL3080854 0.82 L3MBTL1 (0.61) CA1CA2LMNAL3MBTL1HTT
SCHEMBL10410659 0.81 CA1 (0.63) CA1CA2CES2CES1ALDH1A1
SCHEMBL959287 0.81 CA1 (0.63) CA1CA2CES2CES1ALDH1A1
SCHEMBL7294894 0.80 CA1 (0.59) CA1CA2CES2CES1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4299557-A1 PHENYLACETIC ACID DERIVATIVE, USE THEREFOR, AND PRODUCTION INTERMEDIATE THEREOF Sumitomo Chemical Company Limited (JP) 2024-01-03 EP disclosed
WO-2023249039-A1 TRIAZINANE COMPOUND AND COMPOSITION CONTAINING SAME 住友化学株式会社 2023-12-28 WO disclosed
WO-2023243677-A1 PLANT DISEASE CONTROL METHOD 住友化学株式会社 2023-12-21 WO disclosed
WO-2023182391-A1 METHOD FOR CONTROLLING PLANT DISEASES 住友化学株式会社 2023-09-28 WO disclosed
EP-4223756-A1 HETEROCYCLIC COMPOUND AND HARMFUL ARTHROPOD-CONTROLLING COMPOSITION CONTAINING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-08-09 EP disclosed
EP-4223755-A1 HETEROCYCLIC COMPOUND AND HARMFUL ARTHROPOD-CONTROLLING COMPOSITION INCLUDING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-08-09 EP disclosed
WO-2023145769-A1 γ-LACTAM COMPOUND AND COMPOSITION CONTAINING SAME 住友化学株式会社 2023-08-03 WO disclosed
WO-2023112988-A1 METHOD FOR CONTROLLING NOXIOUS ARTHROPODS 住友化学株式会社 2023-06-22 WO disclosed
US-20230150909-A1 PHENYLACETIC ACID DERIVATIVE, USE THEREFOR, AND PRODUCTION INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-05-18 US disclosed
WO-2023277014-A1 HETEROCYCLIC COMPOUND AND HARMFUL-ARTHROPOD-CONTROLLING COMPOSITION CONTAINING SAME 住友化学株式会社 2023-01-05 WO disclosed
WO-2023277015-A1 HETEROCYCLIC COMPOUND AND RESISTANT HARMFUL ARTHROPOD-CONTROLLING METHOD FOR COMPOSITION CONTAINING SAME 住友化学株式会社 2023-01-05 WO disclosed
WO-2020158889-A1 HETEROCYCLIC COMPOUND AND HARMFUL ARTHROPOD CONTROL COMPOSITION CONTAINING SAME 住友化学株式会社 2020-08-06 WO disclosed
US-20200109297-A1 ENZYMATIC ANTIMICROBIAL AND ANTIFOULING COATINGS AND POLYMERIC MATERIALS REACTIVE SURFACES, LTD., LLP (US) 2020-04-09 US disclosed
EP-2324087-A2 COATINGS AND SURFACE TREATMENTS HAVING ACTIVE ENZYMES AND PEPTIDES McDaniel, Steven C. (US) 2011-05-25 EP disclosed
WO-2009155115-A2 COATINGS AND SURFACE TREATMENTS HAVING ACTIVE ENZYMES AND PEPTIDES REACTIVE SURFACES, LTD. (US) 2009-12-23 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 (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-20230150909-A1 PHENYLACETIC ACID DERIVATIVE, USE THEREFOR, AND PRODUCTION INTERMEDIATE THEREOF FAR1, NOTUM, ME1 CA1 1184/4885CA2 454/4885CES2 2647/4885

“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.