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Sugi Predict / Compounds / SCHEMBL3516522

SCHEMBL3516522

SCHEMBL3516522

COC(=O)c1cc(Oc2ccc(N)c(F)c2)ccc1NS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 4/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ CYP2C19 P33261 1/20 0.51
▸ FFAR4 Q5NUL3 2/20 0.50
▸ LMNA P02545 4/20 0.46
▸ MAPT P10636 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ KCNA5 P22460 1/20 0.45
▸ METAP2 P50579 1/20 0.45
▸ MRGPRX1 Q96LB2 2/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ ELANE P08246 1/20 0.43
▸ PRTN3 P24158 1/20 0.43

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
SCHEMBL3512974 0.91 CYP2C9 (0.64) CYP2C9CYP1A2CYP2C19FFAR4LMNA
SCHEMBL3514118 0.91 CYP2C9 (0.64) CYP2C9CYP1A2CYP2C19FFAR4LMNA
SCHEMBL3514192 0.89 CYP2C9 (0.61) CYP2C9CYP1A2CYP2C19FFAR4LMNA
SCHEMBL3512980 0.89 CYP2C9 (0.72) CYP2C9CYP1A2CYP2C19FFAR4LMNA
SCHEMBL3512748 0.88 CYP2C9 (0.60) CYP2C9CYP1A2CYP2C19FFAR4LMNA
SCHEMBL3511656 0.88 CYP2C9 (0.59) CYP2C9CYP1A2CYP2C19FFAR4LMNA
SCHEMBL3513264 0.88 CYP2C9 (0.59) CYP2C9CYP1A2CYP2C19FFAR4LMNA
SCHEMBL3515319 0.88 CYP2C9 (0.59) CYP2C9CYP1A2CYP2C19FFAR4LMNA
SCHEMBL3513548 0.87 CYP2C9 (0.53) CYP2C9CYP1A2CYP2C19FFAR4LMNA
SCHEMBL3512862 0.87 CYP2C9 (0.56) CYP2C9CYP1A2CYP2C19FFAR4LMNA

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-20100280268-A1 HOMOGENEOUS TIME RESOLVED FLUORESCENCE BASED TEST SYSTEM TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-11-04 — — US disclosed
US-20100280268-A1 HOMOGENEOUS TIME RESOLVED FLUORESCENCE BASED TEST SYSTEM TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-11-04 — — US disclosed
US-20100280268-A1 HOMOGENEOUS TIME RESOLVED FLUORESCENCE BASED TEST SYSTEM TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-11-04 — — US disclosed
EP-2005177-A1 A HOMOGENEOUS TIME RESOLVED FLUORESCENCE BASED TEST SYSTEM Tibotec Pharmaceuticals Ltd. (IE) 2008-12-24 — — EP disclosed
WO-2007113337-A1 A HOMOGENEOUS TIME RESOLVED FLUORESCENCE BASED TEST SYSTEM TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-10-11 — — WO disclosed
WO-2007113337-A1 A HOMOGENEOUS TIME RESOLVED FLUORESCENCE BASED TEST SYSTEM TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-10-11 — — 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-20100280268-A1 HOMOGENEOUS TIME RESOLVED FLUORESCENCE BASED TEST SYSTEM C1QBP, CD4, CHRM4 CYP2C9 4489/4885CYP1A2 4221/4885CYP2C19 4195/4885

“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.