SCHEMBL1807871

SCHEMBL1807871

C[N]c1ccc(S(=O)(=O)O)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ RPS6KA3 P51812 1/20 0.41
▸ LMNA P02545 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SUMO2 P61956 1/20 0.41
▸ SUMO1 P63165 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP3 Q9H4L4 1/20 0.41
▸ SENP2 Q9HC62 1/20 0.41
▸ SENP1 Q9P0U3 1/20 0.41
▸ HSD17B10 Q99714 4/20 0.40
▸ SNCA P37840 1/20 0.40
▸ PHLPP2 Q6ZVD8 2/20 0.39
▸ CYP2C9 P11712 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ ENPP2 Q13822 1/20 0.38
▸ TSHR P16473 2/20 0.38

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
SCHEMBL1807697 0.85 ALDH1A1 (0.40) ALDH1A1HIF1ARPS6KA3LMNAGAA
SCHEMBL15500220 0.81 ALDH1A1 (0.41) ALDH1A1HIF1ARPS6KA3LMNAGAA
SCHEMBL1804272 0.81 ALDH1A1 (0.43) ALDH1A1HIF1ARPS6KA3LMNAMAPT
SCHEMBL27572436 0.80 CYP3A4 (0.43) ALDH1A1HIF1ARPS6KA3LMNAGAA
SCHEMBL1807566 0.79 PTPN11 (0.43) ALDH1A1HIF1ARPS6KA3LMNAMAPT
SCHEMBL9711549 0.79 ALDH1A1 (0.51) ALDH1A1HIF1ARPS6KA3LMNAGAA
SCHEMBL30487906 0.77 LMNA (0.61) ALDH1A1LMNAGAAMAPTHSD17B10
SCHEMBL83885 0.77 LMNA (0.61) ALDH1A1LMNAGAAMAPTHSD17B10
SCHEMBL6916815 0.75 LMNA (0.59) ALDH1A1LMNAGAAMAPTHSD17B10
SCHEMBL8715228 0.75 LMNA (0.59) ALDH1A1LMNAGAAMAPTHSD17B10

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-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
EP-0559331-B1 Compositions and aqueous solutions of reactive azo dyes ZENECA LTD (GB) 1997-06-11 — — EP disclosed
US-5516897-A CELLULOSIC MATERIALS ZENECA LIMITED (GB) 1996-05-14 — — US disclosed
EP-0559331-A1 Compositions and aqueous solutions of reactive azo dyes ZENECA LIMITED (GB) 1993-09-08 — — EP 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 218/4885HIF1A 1831/4885RPS6KA3 3008/4885

“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.

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