SCHEMBL1864283

SCHEMBL1864283

Cc1ccc(S(=O)(=O)N(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
AGER Q15109 1/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 1/20 0.46
MCOLN3 Q8TDD5 1/20 0.46
C5AR1 P21730 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ATM Q13315 1/20 0.43
NR1D1 P20393 1/20 0.43
F2 P00734 1/20 0.43
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
STAT5B P51692 1/20 0.41
PTGES O14684 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL22517147 0.86 CA12 (0.40) ALDH1A1LMNAF2CA12CA9
SCHEMBL1858049 0.86 ALDH1A1 (0.39) ALDH1A1LMNAMAPTCA12CA9
SCHEMBL9986889 0.86 KMT2A (0.46) ALDH1A1LMNA
SCHEMBL2960697 0.85 AGER (0.45) ALDH1A1AGERLMNAMAPTMCOLN3
SCHEMBL28034923 0.85 HSD11B1 (0.56) ALDH1A1LMNAHTTMAPTKDM4E
SCHEMBL24723850 0.84 CA12 (0.42) ALDH1A1LMNAHTTMAPTCA12
SCHEMBL26413555 0.84 AGER (0.45) ALDH1A1AGERLMNAHTTMAPT
SCHEMBL26413522 0.83 AGER (0.44) ALDH1A1AGERLMNAHTTMAPT
SCHEMBL1858895 0.82 HSD11B1 (0.39) ALDH1A1CA12CA9STAT5B
SCHEMBL24723852 0.82 NR1I2 (0.40) ALDH1A1CA12CA9KEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023242631-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LEGOCHEM BIOSCIENCES, INC. (KR) 2023-12-21 WO disclosed
EP-1445249-B1 NOVEL BENSOPHENONE DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO LTD (JP) 2012-11-07 EP disclosed
US-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2011-05-05 US disclosed
US-7772285-B2 Benzophenone derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2010-08-10 US disclosed
WO-2009080722-A2 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2009-07-02 WO disclosed
EP-1419126-B1 FLUOROUS NUCLEOPHILIC SUBSTITUTION OF ALCOHOLS AND REAGENTS FOR USE THEREIN UNIV PITTSBURGH (US) 2006-11-02 EP disclosed
US-6806357-B1 REACTING THE ALCOHOL AND A NUCLEOPHILE WITH AN AZODICARBOXYLATE AND A PHOSPHINE. AT LEAST ONE OF THE AZODICARBOXYLATE AND THE PHOSPHINE INCLUDES AT LEAST ONE FLUOROUS TAG UNIVERSITY OF PITTSBURGH 2004-10-19 US disclosed
EP-1445249-A1 NOVEL BENSOPHENONE DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2004-08-11 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 (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-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AKR1C3, TPD52L2, HCCS ALDH1A1 198/4885AGER 2064/4885LMNA 1947/4885

“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.