SCHEMBL17445282

SCHEMBL17445282

CS(=O)(=O)OCc1cccc([N+](=O)[O-])c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 5/20 0.39
TSHR P16473 2/20 0.39
HTT P42858 1/20 0.38
MAOB P27338 1/20 0.37
CA2 P00918 2/20 0.37
MMP1 P03956 2/20 0.37
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37
MMP8 P22894 2/20 0.37
MMP13 P45452 2/20 0.37
CA1 P00915 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 1/20 0.36
LMNA P02545 1/20 0.36
GPR35 Q9HC97 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL1089020 0.84 ALDH1A1 (0.51) TDP1ALDH1A1TSHRHTTMAOB
SCHEMBL3843256 0.84 TDP1 (0.53) TDP1ALDH1A1TSHRHTTMAOB
SCHEMBL10694908 0.81 ALDH1A1 (0.39) TDP1ALDH1A1TSHRHTTMAOB
SCHEMBL28901826 0.81 ALDH1A1 (0.46) TDP1ALDH1A1TSHRHTTMAOB
SCHEMBL5711756 0.80 TDP1 (0.46) TDP1ALDH1A1TSHRHTTMEN1
SCHEMBL24707429 0.78 AKR1B1 (0.39) ALDH1A1MAOBLMNA
SCHEMBL12648507 0.77 TDP1 (0.50) TDP1ALDH1A1TSHRMEN1KMT2A
SCHEMBL22499465 0.77 TDP1 (0.40) TDP1ALDH1A1TSHRHTTMAOB
SCHEMBL20096043 0.75 KAT6A (0.35) TDP1ALDH1A1CA2MMP1MMP2
SCHEMBL30273921 0.75 ALDH1A1 (0.43) TDP1ALDH1A1TSHRCA2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160016906-A1 SALT OF OMECAMTIV MECARBIL AND PROCESS FOR PREPARING SALT AMGEN INC. (US) 2016-01-21 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-20160016906-A1 SALT OF OMECAMTIV MECARBIL AND PROCESS FOR PREPARING SALT SI, AREG, CA12 TDP1 4129/4885ALDH1A1 2291/4885TSHR 4056/4885

“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.