SCHEMBL8251995

SCHEMBL8251995

NCc1ccccc1S(=O)(=O)N1CCCCCC1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2C9 P11712 1/20 0.68
CYP2C19 P33261 1/20 0.68
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 6/20 0.53
MAPT P10636 3/20 0.50
KDM4E B2RXH2 1/20 0.50
USP2 O75604 1/20 0.47
MAPK1 P28482 1/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 1/20 0.46
MCOLN3 Q8TDD5 1/20 0.46
ALOX15 P16050 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.45

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
SCHEMBL8252607 1.00 TSHR (0.68) TSHRCYP3A4CYP2C9CYP2C19MEN1
Hydrochloric Acid SCHEMBL4612407 0.98 TSHR (0.66) TSHRCYP3A4CYP2C9CYP2C19MEN1
Hydrochloric Acid SCHEMBL4612354 0.98 TSHR (0.66) TSHRCYP3A4CYP2C9CYP2C19MEN1
SCHEMBL1016719 0.98 TSHR (0.65) TSHRCYP3A4CYP2C9CYP2C19MEN1
Hydrochloric Acid SCHEMBL1016794 0.97 TSHR (0.62) TSHRCYP3A4CYP2C9CYP2C19MEN1
Trifluoroacetic Acid SCHEMBL5003916 0.86 TSHR (0.50) TSHRCYP3A4CYP2C9CYP2C19MEN1
SCHEMBL8252295 0.84 L3MBTL1 (0.49) TSHRCYP3A4CYP2C9CYP2C19MEN1
SCHEMBL14009509 0.84 TSHR (0.48) TSHRCYP3A4CYP2C9CYP2C19MEN1
SCHEMBL8245293 0.84 POLB (0.54) TSHRCYP3A4CYP2C9CYP2C19MEN1
SCHEMBL4713580 0.83 TSHR (0.68) TSHRCYP3A4CYP2C9CYP2C19MEN1

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-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
WO-2007002313-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 US disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 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-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants F12, F11, F7 TSHR 1231/4885CYP3A4 201/4885CYP2C9 81/4885

“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.