SCHEMBL1807697

SCHEMBL1807697

C[N]c1cc(S(=O)(=O)O)ccc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.40
▸ HSD17B10 Q99714 4/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ SNCA P37840 1/20 0.40
▸ LMNA P02545 4/20 0.39
▸ PHLPP2 Q6ZVD8 2/20 0.39
▸ CYP2C9 P11712 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ RPS6KA3 P51812 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TSHR P16473 2/20 0.38
▸ NT5E P21589 1/20 0.38
▸ RXRA P19793 1/20 0.37
▸ RXRB P28702 1/20 0.37
▸ RXRG P48443 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CASP6 P55212 2/20 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
SCHEMBL6851838 0.85 ALDH1A1 (0.40) ALDH1A1HSD17B10HIF1ASNCALMNA
SCHEMBL1807871 0.85 ALDH1A1 (0.46) ALDH1A1HSD17B10HIF1ASNCALMNA
SCHEMBL11278919 0.80 CYP3A4 (0.56) ALDH1A1HSD17B10HIF1ASNCALMNA
SCHEMBL30487906 0.77 LMNA (0.61) ALDH1A1HSD17B10SNCALMNATDP1
SCHEMBL83885 0.77 LMNA (0.61) ALDH1A1HSD17B10SNCALMNATDP1
SCHEMBL1804272 0.77 ALDH1A1 (0.43) ALDH1A1HSD17B10HIF1ALMNAPHLPP2
SCHEMBL1803949 0.77 POLB (0.46) LMNAPHLPP2TSHRPOLBCA1
SCHEMBL10052902 0.76 ALDH1A1 (0.46) ALDH1A1HSD17B10HIF1ASNCALMNA
SCHEMBL1807566 0.76 PTPN11 (0.43) ALDH1A1HSD17B10HIF1ASNCALMNA
Water SCHEMBL11029598 0.75 LMNA (0.59) ALDH1A1HSD17B10SNCALMNATDP1

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 10 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
EP-0012341-B1 ANTHRAQUINONE REACTIVE DYESTUFFS AND THEIR USE IN DYEING MATERIALS THAT CONTAIN HYDROXYL OR AMIDE GROUPS BAYER AG (DE) 1982-09-08 — — EP disclosed
US-4332938-A Anthaquinone reactive dyestuffs, their preparation and their use for dyeing materials containing OH groups or amide groups BAYER AKTIENGESELLSCHAFT (DE) 1982-06-01 — — US disclosed
US-4325705-A Anthraquinone reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1982-04-20 — — US disclosed
EP-0012341-A1 Anthraquinone reactive dyestuffs and their use in dyeing materials that contain hydroxyl or amide groups BAYER AG (DE) 1980-06-25 — — EP disclosed
EP-0012342-A1 Anthraquinone reactive dyestuffs and their use in dyeing and printing materials that contain hydroxyl groups or amide groups BAYER AG (DE) 1980-06-25 — — 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 218/4885HSD17B10 2848/4885HIF1A 1831/4885

“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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