SCHEMBL16749784

SCHEMBL16749784

C=CS(=O)(=O)c1cccc(N(C)CC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CA1 P00915 1/20 0.38
CA4 P22748 1/20 0.38
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 2/20 0.35
MAPK1 P28482 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
XBP1 P17861 1/20 0.35
HTT P42858 1/20 0.35
MDM2 Q00987 1/20 0.35
HSD17B10 Q99714 1/20 0.35
S1PR1 P21453 1/20 0.35
KCNA5 P22460 1/20 0.35

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
SCHEMBL7029934 0.86 ALDH1A1 (0.46) ALDH1A1TSHRSMN1; SMN2TP53MAPK1
SCHEMBL7033091 0.83 CA12 (0.49) CA12CA2CA9CA1CA4
SCHEMBL54845 0.75 TSHR (0.50) CA12CA2CA9CA1CA4
SCHEMBL10181530 0.73 LOXL2 (0.43) CA2ALDH1A1TSHRSMN1; SMN2TP53
SCHEMBL22354181 0.73 ALDH1A1 (0.46) CA12CA2CA9CA1CA4
SCHEMBL10180546 0.71 KAT6A (0.44) CA2ALDH1A1TSHRSMN1; SMN2TP53
SCHEMBL13214022 0.71 KMT2A (0.50) ALDH1A1TSHRSMN1; SMN2TP53MAPK1
SCHEMBL13452282 0.71 CA12 (0.35) CA12CA2CA9CA1CA4
SCHEMBL1373952 0.70 NOS1 (0.37) CA12CA2CA9CA1ALDH1A1
SCHEMBL14573196 0.70 TP53 (0.46) CA12CA2CA9CA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2855597-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE HUNTSMAN ADVANCED MAT (SWITZERLAND) GMBH (CH) 2017-06-07 EP disclosed
US-9346958-B2 Reactive dyes, their preparation and their use HUNTSMAN INTERNATIONAL LLC (US) 2016-05-24 US disclosed
US-20150143639-A1 Reactive Dyes, Their Preparation and Their Use HUNTSMAN INTERNATIONAL LLC 2015-05-28 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-20150143639-A1 Reactive Dyes, Their Preparation and Their Use H1-2, H1-3, H1-4 CA12 329/4885CA2 39/4885CA9 121/4885

“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.