SCHEMBL6549986

SCHEMBL6549986

CCC(Sc1cccc(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.53
PPARA Q07869 2/20 0.53
PTGES O14684 1/20 0.53
ALOX5 P09917 1/20 0.53
HTT P42858 1/20 0.50
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 4/20 0.47
GAA P10253 2/20 0.45
POLB P06746 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 2/20 0.45
EPHX1 P07099 3/20 0.44
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42

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
Hydrochloric Acid SCHEMBL6548048 0.99 PPARG (0.52) PPARGPPARAPTGESALOX5HTT
SCHEMBL6548042 0.87 ALDH1A1 (0.46) PPARGPPARAPTGESALOX5ATM
SCHEMBL11518993 0.81 HTT (0.54) PPARGPTGESALOX5HTTATM
SCHEMBL6956928 0.80 CES2 (0.47) PPARGPPARAHTTATML3MBTL1
SCHEMBL11097142 0.79 ATM (0.46) PPARGPPARAPTGESALOX5HTT
SCHEMBL1931269 0.78 HTT (0.71) PPARGPPARAPTGESALOX5HTT
SCHEMBL9099120 0.78 HTT (0.71) PPARGPPARAPTGESALOX5HTT
SCHEMBL9325352 0.77 HTR2A (0.50) ATML3MBTL1ALDH1A1GAAKDM4E
SCHEMBL11661668 0.74 HTT (0.53) PPARGPTGESALOX5HTTATM
SCHEMBL10419339 0.74 PPARG (0.48) PPARGPPARAPTGESALOX5ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1180515-B9 BENZOXAZOLE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND HERBICIDES UBE INDUSTRIES (JP) 2004-12-01 EP disclosed
EP-1180515-B1 BENZOXAZOLE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND HERBICIDES UBE INDUSTRIES (JP) 2004-04-14 EP disclosed
US-6706664-B1 Benzoxazole compounds, process for the preparation thereof and herbicides UBE INDUSTRIES, LTD. (JP) 2004-03-16 US disclosed
US-20020032187-A1 Method for stimulating bone formation SMITHKLINE BEECHAM CORPORATION 2002-03-14 US disclosed
EP-1180515-A1 BENZOXAZOLE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND HERBICIDES Ube Industries, Ltd. (JP) 2002-02-20 EP disclosed
US-5977101-A Benzimidazoles/Imidazoles Linked to a Fibrinogen Receptor Antagonist Template Having Vitronectin Receptor Antagonist Activity SMITHKLINE BEECHAM CORPORATION (US) 1999-11-02 US disclosed
US-4155905-A 6-Substituted penicillanic acid and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1979-05-22 US disclosed
US-4077967-A 6-Substituted penicillanic acid and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1978-03-07 US disclosed
US-4061629-A 6-Amino-6-arylthio penicillanic acids and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1977-12-06 US disclosed
US-4061851-A 7-Amino-7-arylthio cephalosporins E. R. SQUIBB & SONS, INC. (US) 1977-12-06 US disclosed
US-4029669-A 6-Benzalimino-6-arylthio penicillanic acids and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1977-06-14 US disclosed
US-4026886-A 7-Acyl-7-arylthiocephalosporins E. R. SQUIBB & SONS, INC. (US) 1977-05-31 US disclosed
US-3965093-A 6-Arylthio penicillanic acid and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1976-06-22 US disclosed
US-3954744-A ANTIBACTERIAL E. R. SQUIBB & SONS, INC. (US) 1976-05-04 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 (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-20020032187-A1 Method for stimulating bone formation BMP2, BMP4, SOST PPARG 1684/4885PPARA 1669/4885PTGES 1735/4885

“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.