SCHEMBL7229403

SCHEMBL7229403

Cc1cc(NS(=O)(=O)Cc2ccc(Br)cc2F)cc(C)c1S(=O)(=O)C[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.37
RORC P51449 2/20 0.33
P2RX7 Q99572 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
PYCR1 P32322 1/20 0.32
NMT1 P30419 1/20 0.31
GRK2 P25098 1/20 0.31
RECQL P46063 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
BMP1 P13497 1/20 0.30

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
SCHEMBL7229260 0.80 ALDH1A1 (0.38) AKR1B1RORCKMT2AMEN1RAB9A
SCHEMBL7223197 0.77 GAA (0.47) KMT2AMEN1SMN1; SMN2TDP1
SCHEMBL7224270 0.77 NR1I2 (0.46) RORCKMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL7229122 0.77 CYP3A4 (0.42) AKR1B1RORCKMT2AMEN1
SCHEMBL20186989 0.77 AKR1B1 (0.38) AKR1B1RORCP2RX7KMT2AMEN1
SCHEMBL7222833 0.76 HPGD (0.47) RORCKMT2AMEN1
SCHEMBL7223203 0.76 HPGD (0.39) RORCKMT2AMEN1
SCHEMBL7231130 0.76 KMT2A (0.40) RORCKMT2A
SCHEMBL7222797 0.73 HSD17B2 (0.52) SMN1; SMN2
SCHEMBL7224044 0.73 CYP17A1 (0.35) AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030203966-A1 Nitromethylthiobenzene derivatives as aldose reductase inhihibitors COLLONGES FRANCOIS (FR) 2003-10-30 US disclosed
US-6509499-B1 Nervous system disorders, vision defects, diabetic retinopathy, neuropathic pain and kidney disorder treatment MERCK PATENTGESELLSCHAFT MIT (DE) 2003-01-21 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-20030203966-A1 Nitromethylthiobenzene derivatives as aldose reductase inhihibitors AKR1B1, ALDOA, AKR1C1 AKR1B1 1/4885RORC 2244/4885P2RX7 4464/4885

“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.