SCHEMBL13310425

SCHEMBL13310425

O=C(O)c1ccccc1C(=O)OCCCCS(=O)(=O)O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 8/20 0.55
▸ CYP3A4 P08684 3/20 0.55
▸ MAPK1 P28482 3/20 0.55
▸ TP53 P04637 2/20 0.55
▸ ALDH1A1 P00352 9/20 0.54
▸ LMNA P02545 1/20 0.54
▸ TDP1 Q9NUW8 5/20 0.53
▸ L3MBTL1 Q9Y468 3/20 0.53
▸ HSD17B10 Q99714 4/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ ALOX15 P16050 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ SCN1A P35498 1/20 0.40
▸ SCN2A Q99250 1/20 0.40

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
SCHEMBL13310408 0.95 TSHR (0.54) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL10067097 0.89 ALDH1A1 (0.56) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL5709795 0.87 TSHR (0.70) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL13310429 0.86 TDP1 (0.44) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL1395556 0.85 ALDH1A1 (0.71) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL28188145 0.85 ALDH1A1 (0.71) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL10172848 0.85 TDP1 (0.71) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL27446307 0.84 TSHR (0.67) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL10172853 0.83 TDP1 (0.73) MAPK1ALDH1A1LMNATDP1POLB
SCHEMBL10067101 0.81 TDP1 (0.42) TSHRCYP3A4MAPK1TP53ALDH1A1

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
US-8394570-B2 Sulfonium salt, acid generator, resist composition, photomask blank, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-03-12 — — US disclosed
US-8394570-B2 Sulfonium salt, acid generator, resist composition, photomask blank, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-03-12 — — US disclosed
US-20100143830-A1 SULFONIUM SALT, ACID GENERATOR, RESIST COMPOSITION, PHOTOMASK BLANK, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-06-10 — — 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-20100143830-A1 SULFONIUM SALT, ACID GENERATOR, RESIST COMPOSITION, PHOTOMASK BLANK, AND PATTERNING PROCESS TYK2, VRK2, ARSA TSHR 1712/4885CYP3A4 2300/4885MAPK1 156/4885

“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.

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