SCHEMBL2174608

SCHEMBL2174608

O=S(=O)(c1ccc(F)cc1)N1CC2(CCC2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
PKM P14618 3/20 0.53
MAPT P10636 1/20 0.51
SPR P35270 1/20 0.49
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 1/20 0.48
PTGS2 P35354 2/20 0.48
POLB P06746 2/20 0.48
PTGS1 P23219 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 2/20 0.47
USP2 O75604 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.47
HPGD P15428 1/20 0.46
MMP2 P08253 1/20 0.46

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
SCHEMBL14149366 0.83 PKM (0.59) TSHRPKMCYP1A2CYP3A4CYP2D6
SCHEMBL14921030 0.83 TSHR (0.55) TSHRMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL13324056 0.81 PKM (0.51) TSHRPKMMAPTPOLBMEN1
SCHEMBL2557643 0.80 PKM (0.58) TSHRPKMMAPTPOLBMEN1
SCHEMBL18418190 0.79 TSHR (0.63) TSHRPKMMAPTSPRCYP1A2
SCHEMBL17101998 0.78 PKM (0.61) TSHRPKMCYP3A4POLBMEN1
SCHEMBL17102077 0.76 ALDH1A1 (0.47) TSHRPKMMAPTCYP1A2CYP3A4
SCHEMBL17102041 0.76 ALDH1A1 (0.47) TSHRPKMMAPTCYP1A2CYP3A4
SCHEMBL3236916 0.76 MAPT (0.80) PKMMAPTPOLBMEN1KMT2A
SCHEMBL423283 0.76 MAPT (0.74) PKMMAPTPOLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2014-02-04 US disclosed
EP-2346819-B1 NAPHTHYLACETIC ACIDS HOFFMANN LA ROCHE (CH) 2013-04-10 EP disclosed
EP-2346819-A1 NAPHTHYLACETIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-07-27 EP disclosed
WO-2010055004-A1 NAPHTHYLACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 WO disclosed
US-20100125058-A1 NAPHTHYLACETIC ACIDS CHEN LI 2010-05-20 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-20100125058-A1 NAPHTHYLACETIC ACIDS HRH2, HRH1, HRH3 TSHR 146/4885PKM 3734/4885MAPT 4671/4885

“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.