SCHEMBL1806160

SCHEMBL1806160

C[N]c1cc(C)c(S(=O)(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.46
▸ BRD4 O60885 2/20 0.46
▸ CREBBP Q92793 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.40
▸ RECQL P46063 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ THRB P10828 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ BRCA1 P38398 2/20 0.40
▸ BLM P54132 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ APP P05067 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40

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
SCHEMBL3395151 0.80 BRD4 (0.52) TP53BRD4CREBBPALDH1A1RECQL
SCHEMBL8469963 0.78 BRD4 (0.48) TP53BRD4CREBBPALDH1A1RECQL
SCHEMBL1805590 0.76 ALDH1A1 (0.43) TP53ALDH1A1RECQLKDM4EMEN1
SCHEMBL1805248 0.74 ALDH1A1 (0.43) TP53BRD4ALDH1A1RECQLKDM4E
SCHEMBL1808666 0.74 MPL (0.44) TP53BRD4ALDH1A1RECQLKDM4E
SCHEMBL2862138 0.73 BRD4 (0.50) TP53BRD4CREBBPALDH1A1RECQL
SCHEMBL9836721 0.72 BRD4 (0.50) TP53BRD4CREBBPALDH1A1RECQL
SCHEMBL5806163 0.72 BRD4 (0.46) TP53BRD4CREBBPALDH1A1RECQL
SCHEMBL5405936 0.72 TSHR (0.38) ALDH1A1RECQLKDM4EMAPTHPGD
SCHEMBL10638611 0.72 BRD4 (0.49) TP53BRD4CREBBPALDH1A1RECQL

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 TP53 276/4885BRD4 4487/4885CREBBP 4835/4885

“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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