SCHEMBL3533701

SCHEMBL3533701

CCC(C(=O)C(=O)O)C(C)(C)c1cccc(F)c1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.37
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
GAA P10253 1/20 0.34
KMT2A Q03164 3/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
CTSA P10619 1/20 0.32
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
MEN1 O00255 2/20 0.32
KRAS P01116 2/20 0.32
RIPK1 Q13546 1/20 0.32
KDM4E B2RXH2 2/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32

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
SCHEMBL3534325 0.86 ALDH1A1 (0.40) CTSSCYP2D6CYP2C9TSHRCYP2C19
SCHEMBL3534895 0.85 ALDH1A1 (0.37) CTSSCYP2D6CYP2C9TSHRCYP2C19
SCHEMBL3531859 0.84 SCN5A (0.35) CTSS
SCHEMBL3537446 0.79 KMT2A (0.43) TSHRGAAKMT2AMEN1KDM4E
SCHEMBL3535623 0.75 CTSS (0.36) CTSSCYP2D6CYP2C9TSHRCYP2C19
SCHEMBL27176519 0.73 KMT2A (0.40) CTSSGAAKMT2AAKR1C3AKR1C2
SCHEMBL3536311 0.73 KRAS (0.37) CTSSCYP2C19GAAKMT2ANR1H4
SCHEMBL3535083 0.72 PPARG (0.37)
SCHEMBL3533700 0.72 KRAS (0.37) CTSSGAAKMT2ANR1H4CTSA
SCHEMBL3534257 0.70 KDM4E (0.41) CYP2C9TSHRGAAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662821-B2 improved selectivity and pharmacokinetic properties; 6-Fluoro-1-[(1 H-indazol-4-yl)amino]-4,4-dimethyl-2-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene-2,5-diol; cyclization of imines BAYER SCHERING PHARMA AG (DE) 2010-02-16 US disclosed
US-7659297-B2 improved selectivity and pharmacokinetic properties; 6-Fluoro-1-[(1 H-indazol-4-yl)amino]-4,4-dimethyl-2-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene-2,5-diol; cyclization of imines Bayer Schering Pharma, AG (DE) 2010-02-09 US disclosed
US-7638515-B2 improved selectivity and pharmacokinetic properties; 6-Fluoro-1-[(1 H-indazol-4-yl)amino]-4,4-dimethyl-2-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene-2,5-diol; cyclization of imines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-12-29 US disclosed
US-20050272823-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-12-08 US disclosed
US-20050209324-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-09-22 US disclosed
US-20050171109-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-08-04 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 (3 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-20050171109-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES CTSS 1878/4885CYP2D6 180/4885CYP2C9 109/4885
US-20050272823-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents DHPS, TNF, PTGES CTSS 1834/4885CYP2D6 150/4885CYP2C9 102/4885
US-20050209324-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES CTSS 1878/4885CYP2D6 180/4885CYP2C9 109/4885

“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.