SCHEMBL1807217

SCHEMBL1807217

[NH]CCCCc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.49
LMNA P02545 1/20 0.43
TSHR P16473 3/20 0.42
ALDH1A1 P00352 1/20 0.42
NT5E P21589 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CA1 P00915 6/20 0.40
CA12 O43570 5/20 0.40
CA9 Q16790 5/20 0.40
CA4 P22748 2/20 0.40
CA6 P23280 2/20 0.40
CA5A P35218 2/20 0.40
CA7 P43166 2/20 0.40
CA14 Q9ULX7 2/20 0.40
CA5B Q9Y2D0 2/20 0.40
MGLL Q99685 2/20 0.40
TDP1 Q9NUW8 1/20 0.38
SCNN1A P37088 1/20 0.38
F2 P00734 1/20 0.36
TP53 P04637 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
SCHEMBL1804523 0.94 CA2 (0.47) CA2LMNATSHRALDH1A1NT5E
SCHEMBL30446884 0.90 CA2 (0.57) CA2LMNATSHRALDH1A1NT5E
SCHEMBL1806675 0.86 LMNA (0.48) CA2LMNATSHRALDH1A1NT5E
SCHEMBL1806457 0.82 CA2 (0.50) CA2LMNATSHRALDH1A1NT5E
SCHEMBL21111342 0.82 SMN1; SMN2 (0.58) CA2TSHRALDH1A1SMN1; SMN2CYP2D6
SCHEMBL1806460 0.82 CA2 (0.70) CA2LMNATSHRALDH1A1NT5E
SCHEMBL11583429 0.81 LMNA (0.56) CA2LMNATSHRALDH1A1NT5E
SCHEMBL10693466 0.81 CA2 (0.49) CA2LMNATSHRALDH1A1NT5E
SCHEMBL4333544 0.81 CA2 (0.49) CA2LMNATSHRALDH1A1NT5E
SCHEMBL1807220 0.81 CA2 (0.53) CA2LMNATSHRALDH1A1NT5E

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 CA2 1279/4885LMNA 1431/4885TSHR 3565/4885

“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.