SCHEMBL5745307

SCHEMBL5745307

N#CCS(=O)(=O)c1ccc(N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
TSHR P16473 4/20 0.48
LMNA P02545 2/20 0.48
CYP3A4 P08684 2/20 0.48
MPO P05164 1/20 0.48
CYP2C9 P11712 1/20 0.48
HTR6 P50406 1/20 0.48
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
CA9 Q16790 4/20 0.46
CA12 O43570 3/20 0.46
AGO2 Q9UKV8 2/20 0.46
CA14 Q9ULX7 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
USP2 O75604 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA13 Q8N1Q1 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
SCHEMBL3247012 0.81 ALDH1A1 (0.50) CYP3A4CA1CA2CA9CA12
SCHEMBL10942620 0.80 TP53 (0.57) GAATSHRLMNACYP3A4MPO
SCHEMBL17168937 0.80 PSIP1 (0.60) CA1CA2CA9CA12CA14
SCHEMBL2522787 0.79 GAA (0.55) GAATSHRLMNACYP3A4MPO
SCHEMBL2320786 0.79 PSEN1 (0.46) CA1CA2MEN1KMT2AALDH1A1
SCHEMBL1169954 0.79 ALDH1A1 (0.55) GAALMNACYP3A4CYP2C9CA1
SCHEMBL4074745 0.79 ENPP2 (0.45) SMN1; SMN2TP53
SCHEMBL22057007 0.79 MAPT (0.53) CA1CA2CA9CA12ALDH1A1
SCHEMBL4079205 0.79 F2 (0.41) CA1CA2CA9CA12F2
SCHEMBL3195077 0.79 PLCG1 (0.59) CYP3A4CYP2C9CA1CA2CA9

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
WO-2015193217-A1 BET-PROTEIN INHIBITING DIHYDROPYRIDO[2,3-B]PYRAZINONE DERIVATIVES WITH PARA-SUBSTITUTED AROMATIC AMINO- OR ETHER GROUPS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-12-23 WO disclosed
WO-2012113920-A1 ARYLSULFONE DERIVATIVES WITH ACTIVITY AGAINST HUMAN BETAHERPESVIRUSES KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2012-08-30 WO disclosed
US-20060128662-A1 Novel compounds for treatment of obesity NOVO NORDISK A/S (DK) 2006-06-15 US disclosed
EP-1625112-A1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2006-02-15 EP disclosed
WO-2004101505-A1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2004-11-25 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-20060128662-A1 Novel compounds for treatment of obesity GPR119, FABP4, HSD17B4 GAA 497/4885TSHR 2048/4885LMNA 3584/4885

“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.