SCHEMBL10180338

SCHEMBL10180338

C=CS(=O)(=O)c1ccc(C(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
MAPT P10636 4/20 0.53
LMNA P02545 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HTT P42858 2/20 0.53
MAPK1 P28482 2/20 0.53
NPC1 O15118 1/20 0.53
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
XBP1 P17861 1/20 0.53
RAB9A P51151 1/20 0.53
MDM2 Q00987 1/20 0.53
HSD17B10 Q99714 1/20 0.53
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.46
TYR P14679 2/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL10860893 0.82 ALDH1A1 (0.73) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL10179968 0.81 ALDH1A1 (0.47) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL27742835 0.79 ALDH1A1 (0.42) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL10181499 0.77 KAT6A (0.41) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL13542597 0.76 TLR9 (0.45) ALDH1A1MAPTLMNAMAPK1NPC1
SCHEMBL6038801 0.76 ALDH1A1 (0.50) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL29618 0.76 ALDH1A1 (0.56) ALDH1A1MAPTLMNASMN1; SMN2TSHR
SCHEMBL4300190 0.76 ALDH1A1 (0.59) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL1374724 0.76 TSHR (0.59) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL2889896 0.76 TLR9 (0.67) ALDH1A1MAPTLMNASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9102699-B2 Sialic acid derivatives LIPOXEN TECHNOLOGIES LIMITED (GB) 2015-08-11 US disclosed
US-20140309409-A1 Sialic Acid Derivatives LIPOXEN TECHNOLOGIES LIMITED (GB) 2014-10-16 US disclosed
US-8765936-B2 Sialic acid derivatives LIPOXEN TECHNOLOGIES LIMITED (GB) 2014-07-01 US disclosed
US-20130244122-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME ONUKI MASAMICHI (JP) 2013-09-19 US disclosed
US-20130096294-A1 SIALIC ACID DERIVATIVES LIPOXEN TECHNOLOGIES LIMITED (GB) 2013-04-18 US disclosed
US-20120219866-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-30 US disclosed
EP-2475041-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION, AND NON-AQUEOUS ELECTROLYTE BATTERY COMPRISING SAME Mitsubishi Chemical Corporation (JP) 2012-07-11 EP disclosed
US-4260552-A INSECTICIDES, HERBICIDES UNIROYAL, INC. (US) 1981-04-07 US disclosed
US-4160846-A Method for controlling insects with tetrasubstituted organotin compounds UNIROYAL, INC. (US) 1979-07-10 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-20140309409-A1 Sialic Acid Derivatives NEU2, NEU4, NEU1 ALDH1A1 490/4885MAPT 3381/4885LMNA 1911/4885

“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.