SCHEMBL7229176

SCHEMBL7229176

Cc1cc(N)cc(C)c1SC[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
ALDH1A1 P00352 6/20 0.38
TSHR P16473 5/20 0.38
CYP3A4 P08684 3/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 2/20 0.35
NPC1 O15118 1/20 0.33
HSP90AA1 P07900 1/20 0.32
MAPK1 P28482 1/20 0.32
AGTR1 P30556 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL9711302 0.77 TDP1 (0.47) ALDH1A1TSHRTDP1NPC1POLB
SCHEMBL7226114 0.74 SMN1; SMN2 (0.41) MAPTALDH1A1CYP3A4TDP1HTT
SCHEMBL9740362 0.72 TSHR (0.37) ALDH1A1TSHRCYP3A4RECQLTDP1
SCHEMBL9740135 0.71 TSHR (0.45) MAPTALDH1A1TSHRCYP3A4TDP1
SCHEMBL487510 0.67 ALDH1A1 (0.54) ALDH1A1TSHRCYP3A4RECQLTDP1
SCHEMBL9520153 0.67 TSHR (0.38) MAPTALDH1A1TSHRCYP3A4RECQL
SCHEMBL7224105 0.66 TSHR (0.37) MAPTALDH1A1TSHRCYP3A4RECQL
SCHEMBL9521368 0.65 TSHR (0.33) MAPTALDH1A1TSHRCYP3A4RECQL
SCHEMBL19029861 0.63 CASP1 (0.41) ALDH1A1TSHRCYP3A4TDP1MAPK1
SCHEMBL30040348 0.63 ALDH1A1 (0.60) MAPTALDH1A1TSHRCYP3A4RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0408713-B1 PHENYLSULPHONE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-05-19 EP claimed
EP-0408713-A1 PHENYLSULPHONE DERIVATIVES. ICI PLC (GB) 1991-01-23 EP claimed
WO-1990008761-A1 PHENYLSULPHONE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-08-09 WO claimed
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
EP-0408713-B1 PHENYLSULPHONE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-05-19 EP disclosed
EP-0408713-A1 PHENYLSULPHONE DERIVATIVES. ICI PLC (GB) 1991-01-23 EP disclosed
WO-1990008761-A1 PHENYLSULPHONE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-08-09 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-20030203966-A1 Nitromethylthiobenzene derivatives as aldose reductase inhihibitors AKR1B1, ALDOA, AKR1C1 MAPT 121/4885ALDH1A1 48/4885TSHR 1727/4885

“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.