SCHEMBL1807698

SCHEMBL1807698

Cc1ccc(S(=O)(=O)O)cc1CN

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.43
HSD17B10 Q99714 4/20 0.43
LMNA P02545 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 2/20 0.41
NT5E P21589 1/20 0.41
SNCA P37840 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CASP6 P55212 1/20 0.39
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
PSIP1 O75475 1/20 0.36
TAAR1 Q96RJ0 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
SCHEMBL1807874 0.85 ALDH1A1 (0.43) ALDH1A1HSD17B10LMNATDP1TSHR
SCHEMBL10596213 0.85 ALDH1A1 (0.41) ALDH1A1HSD17B10LMNATDP1TSHR
SCHEMBL1607817 0.85 ALDH1A1 (0.41) ALDH1A1HSD17B10LMNATDP1TSHR
Ammonia Solution, Strong SCHEMBL28250585 0.83 ALDH1A1 (0.40) ALDH1A1HSD17B10LMNATDP1TSHR
SCHEMBL18559539 0.83 LMNA (0.42) ALDH1A1LMNATDP1PSIP1TAAR1
SCHEMBL1807695 0.83 ALDH1A1 (0.40) ALDH1A1HSD17B10LMNATDP1TSHR
SCHEMBL1807546 0.83 ALDH1A1 (0.40) ALDH1A1HSD17B10LMNATDP1TSHR
SCHEMBL1807548 0.83 ALDH1A1 (0.40) ALDH1A1HSD17B10LMNATDP1TSHR
SCHEMBL775810 0.82 TAAR1 (0.38) ALDH1A1HSD17B10LMNATDP1TSHR
SCHEMBL776515 0.81 SNCA (0.39) ALDH1A1HSD17B10LMNATDP1TSHR

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-8404036-B2 Water-soluble near-infrared absorbing coloring matters and aqueous inks containing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-26 US disclosed
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-05-26 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-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME IK, RB1, COL1A1 ALDH1A1 218/4885HSD17B10 2848/4885LMNA 1431/4885

“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.