SCHEMBL7724329

SCHEMBL7724329

Cc1ccc(S(=O)(=O)OCCc2ccccc2C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
GAA P10253 3/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP2D6 P10635 1/20 0.53
KDM4E B2RXH2 4/20 0.43
TDP1 Q9NUW8 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
KMT2A Q03164 2/20 0.43
ATM Q13315 2/20 0.43
MEN1 O00255 1/20 0.43
HSD11B1 P28845 1/20 0.41
HPGD P15428 1/20 0.40
ALOX5 P09917 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RECQL P46063 1/20 0.40
CYP1A2 P05177 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL26181057 0.89 ALDH1A1 (0.49) ALDH1A1GAACYP3A4CYP2C9CYP2C19
SCHEMBL17023780 0.88 CYP3A4 (0.40) ALDH1A1GAACYP3A4CYP2C9CYP2C19
SCHEMBL26181061 0.83 HSD11B1 (0.44) ALDH1A1GAACYP3A4CYP2C9CYP2C19
SCHEMBL2568984 0.82 ALDH1A1 (0.48) ALDH1A1KDM4ETDP1KMT2AMEN1
SCHEMBL12676668 0.81 MEN1 (0.51) ALDH1A1GAAKMT2AMEN1SMN1; SMN2
SCHEMBL9016848 0.80 NPSR1 (0.50) ALDH1A1GAACYP3A4CYP2C9CYP2C19
SCHEMBL1904847 0.79 VDR (0.40) ALDH1A1KMT2AMEN1SMN1; SMN2VDR
SCHEMBL8209789 0.79 TP53 (0.51) ALDH1A1KMT2AMEN1HSD11B1HPGD
SCHEMBL5748460 0.79 LMNA (0.48) ALDH1A1CYP3A4CYP2D6KMT2AMEN1
SCHEMBL28774223 0.79 MEN1 (0.46) GAATDP1KMT2AMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240051915-A1 METHOD FOR PREPARING 2-HYDROXY-5-[2-(4-(TRIFLUOROMETHYLPHENYL)ETHYLAMINO)]BENZOIC ACID GNT PHARMA CO., LTD. (KR) 2024-02-15 US disclosed
EP-4261201-A1 METHOD FOR PREPARING 2-HYDROXY-5-[2-(4-(TRIFLUOROMETHYLPHENYL)ETHYLAMINO)]BENZOIC ACID GNT Pharma Co., Ltd (KR) 2023-10-18 EP disclosed
US-6468998-B1 ANTAGONIZE SEROTONIN 2 RECEPTORS, SUPPRESS PLATELET AGGREGATION, IMPROVE PERIPHERAL CIRCULATION AND PROMOTE LACHRYMATION MITSUBISHI PHARMA CORPORATION (JP) 2002-10-22 US disclosed
EP-1125922-A1 PYRROLIDINE COMPOUNDS AND MEDICINAL UTILIZATION THEREOF Welfide Corporation (JP) 2001-08-22 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-20240051915-A1 METHOD FOR PREPARING 2-HYDROXY-5-[2-(4-(TRIFLUOROMETHYLPHENYL)ETHYLAMINO)]BENZOIC ACID HPD, HAAO, HAO2 ALDH1A1 691/4885GAA 163/4885CYP3A4 51/4885

“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.