Sugi Predict

Sugi Predict / Compounds / SCHEMBL6553697

SCHEMBL6553697

SCHEMBL6553697

O=C(O)c1ccc(C(F)(F)F)cc1Cl.[NaH]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ HPGD P15428 2/20 0.61
▸ HSD17B10 Q99714 2/20 0.61
▸ TSHR P16473 1/20 0.55
▸ CASP1 P29466 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ SORT1 Q99523 1/20 0.55
▸ USP2 O75604 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ MRGPRX4 Q96LA9 5/20 0.52
▸ CES2 O00748 2/20 0.50
▸ ACLY P53396 1/20 0.50
▸ MEN1 O00255 1/20 0.48
▸ TTR P02766 1/20 0.48
▸ PPOX P50336 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ GRIK1 P39086 2/20 0.48
▸ KCNMA1 Q12791 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
SCHEMBL1818435 0.98 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL8617573 0.96 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL78221 0.83 MRGPRX4 (0.61) KDM4EALDH1A1HPGDHSD17B10SORT1
SCHEMBL1455625 0.83 CES2 (0.52) KDM4EALDH1A1HPGDHSD17B10SORT1
SCHEMBL30377763 0.82 HPGD (0.49) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL6495907 0.81 PDE2A (0.50) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL30482175 0.81 PDE2A (0.50) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL9636953 0.81 CES2 (0.50) KDM4EALDH1A1HPGDHSD17B10SORT1
SCHEMBL29753880 0.81 ALDH1A1 (0.51) KDM4EALDH1A1HPGDHSD17B10CASP1
SCHEMBL2856789 0.81 ALDH1A1 (0.51) KDM4EALDH1A1HPGDHSD17B10CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1176071-C Process for preparation of 2-alkylthio benzoic acid derivatives ����-���ʿ�ũҵ��˾ 2004-11-17 — — CN disclosed
US-6777575-B2 BY REACTING AN ALKYLMERCAPTAN WITH THE CORRESPONDING 2-HALO OR 2-NITRO BENZOIC ACID DERIVATIVE; USEFUL AS INTERMEDIATES TO HERBICIDES RHONE-POULENC AGRO (FR) 2004-08-17 — — US disclosed
EP-0994851-B1 PROCESS FOR THE PREPARATION OF 2-ALKYLTHIO BENZOIC ACID DERIVATIVES BAYER CROPSCIENCE SA (FR) 2004-02-18 — — EP disclosed
US-20020103396-A1 PROCESS FOR THE PREPARATION OF 2-ALKYLTHIO BENZOIC ACID DERIVATIVES RHONE-POULENC AGRO (FR) 2002-08-01 — — US disclosed
CN-1262673-A Process for preparation of 2-alkylthio benzoic acid derivatives RHONE POULENC AGROCHIMIE (FR) 2000-08-09 — — CN disclosed
EP-0994851-A1 PROCESS FOR THE PREPARATION OF 2-ALKYLTHIO BENZOIC ACID DERIVATIVES Rhone Poulenc Agro (FR) 2000-04-26 — — EP disclosed
WO-1999002489-A1 PROCESS FOR THE PREPARATION OF 2-ALKYLTHIO BENZOIC ACID DERIVATIVES RHONE POULENC AGRO (FR) 1999-01-21 — — 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-20020103396-A1 PROCESS FOR THE PREPARATION OF 2-ALKYLTHIO BENZOIC ACID DERIVATIVES HAX1, BRIX1, SFXN1 KDM4E 3229/4885ALDH1A1 692/4885HPGD 1307/4885

“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.