SCHEMBL1806176

SCHEMBL1806176

Cc1cc(S(=O)(=O)O)cc(S(=O)(=O)O)c1CC[O]

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
ING2 Q9H160 1/20 0.32
P2RX5 Q93086 1/20 0.31
P2RX4 Q99571 1/20 0.31
P2RX2 Q9UBL9 1/20 0.31
MYC P01106 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
CASP6 P55212 1/20 0.30
HSD17B10 Q99714 1/20 0.30
POLB P06746 1/20 0.30
RECQL P46063 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL1806708 0.89 APEX1 (0.34) ALDH1A1LMNALCKFYNCYP2C9
SCHEMBL1803259 0.89 APEX1 (0.38) ALDH1A1LMNAGAAMAPTMEN1
SCHEMBL1806179 0.86 ALDH1A1 (0.35) ALDH1A1LMNAGAAMAPTLCK
SCHEMBL1808721 0.86 LCK (0.34) ALDH1A1LMNAGAAMAPTLCK
SCHEMBL1808723 0.82 LCK (0.34) ALDH1A1LMNAGAAMAPTLCK
SCHEMBL1802911 0.81 ALDH1A1 (0.36) ALDH1A1LMNAGAAMAPTLCK
SCHEMBL1802913 0.81 ALDH1A1 (0.34) ALDH1A1LMNAGAAMAPTLCK
SCHEMBL14390465 0.79 LMNA (0.42) ALDH1A1LMNAGAAMAPTLCK
SCHEMBL1804558 0.78 KDM4E (0.36) ALDH1A1LMNAGAAMAPTMYC
SCHEMBL1807219 0.76 LCK (0.32) ALDH1A1LMNALCKFYNING2

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 218/4885LMNA 1431/4885GAA 2451/4885

“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.