SCHEMBL12311331

SCHEMBL12311331

CS(=O)(=O)CCNc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
KEAP1 Q14145 1/20 0.48
CA2 P00918 3/20 0.47
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
DRD4 P21917 1/20 0.41
POLB P06746 1/20 0.39
CA1 P00915 2/20 0.39
NR3C1 P04150 1/20 0.38
IDO1 P14902 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
RORC P51449 1/20 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
SCHEMBL12311256 0.88 ALDH1A1 (0.59) ALDH1A1MAPTKEAP1CA2CA12
SCHEMBL4818407 0.82 APP (0.43) ALDH1A1MAPTKEAP1CA2CA12
SCHEMBL26422118 0.82 ALDH1A1 (0.50) ALDH1A1MAPTKEAP1CA2CA12
SCHEMBL6151111 0.81 LMNA (0.39) ALDH1A1MAPTCA2CA12CA9
SCHEMBL4411321 0.81 ALDH1A1 (0.54) ALDH1A1MAPTKEAP1CA2CA12
SCHEMBL6150769 0.80 CA1 (0.45) MAPTCA2CA12CA9CA1
Hydrochloric Acid SCHEMBL4824149 0.80 GAA (0.42) ALDH1A1MAPTKEAP1CA2CA12
SCHEMBL12201441 0.80 LATS1 (0.49) MAPTL3MBTL1
Hydrochloric Acid SCHEMBL10341636 0.79 ALDH1A1 (0.52) ALDH1A1MAPTKEAP1CA2CA12
SCHEMBL6698064 0.79 ALDH1A1 (0.52) ALDH1A1MAPTCA2CA12CA9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9932445-B2 Hygromorphic polymers and copolymers having humidity-driven motility THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2018-04-03 US claimed
US-20170260334-A1 HYGROMORPHIC POLYMERS AND COPOLYMERS HAVING HUMIDITY-DRIVEN MOTILITY GOVERNMENT OF THE UNITED STATES AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE 2017-09-14 US claimed
US-8022059-B2 Indazole acrylic acid amide compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-09-20 US disclosed
US-20100256108-A1 INDAZOLE ACRYLIC ACID AMIDE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-10-07 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 (2 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-20170260334-A1 HYGROMORPHIC POLYMERS AND COPOLYMERS HAVING HUMIDITY-DRIVEN MOTILITY DNAH12, PARG, PARN ALDH1A1 2805/4885MAPT 1500/4885KEAP1 4786/4885
US-20100256108-A1 INDAZOLE ACRYLIC ACID AMIDE COMPOUND KCNH2, KCNH3, KCNJ11 ALDH1A1 711/4885MAPT 4800/4885KEAP1 1343/4885

“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.