SCHEMBL10172828

SCHEMBL10172828

O=C(OCCCS(=O)(=O)O)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.70
LMNA P02545 1/20 0.56
MAPK1 P28482 1/20 0.49
HIF1A Q16665 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.45
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
TSHR P16473 1/20 0.45
STS P08842 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL10172853 0.95 TDP1 (0.73) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL2608651 0.89 TDP1 (0.63) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL10172838 0.85 ESR1 (0.63) TDP1LMNAMAPK1SLC6A2KMT2A
SCHEMBL18775861 0.83 TDP1 (0.56) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL27933090 0.83 TDP1 (0.66) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL223441 0.83 TDP1 (1.00) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL416566 0.83 TDP1 (0.91) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL10172839 0.83 RAB9A (0.49) TDP1LMNAMAPK1ALDH1A1SMN1; SMN2
SCHEMBL13310408 0.82 TSHR (0.54) TDP1LMNAMAPK1HIF1AALDH1A1
SCHEMBL10067103 0.82 HRH3 (0.56) TDP1KMT2AALDH1A1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111788485-A Modified biotin-binding proteins for immobilization 加利福尼亚太平洋生物科学股份有限公司 2020-10-16 CN claimed
CN-111788485-A Modified biotin-binding proteins for immobilization 加利福尼亚太平洋生物科学股份有限公司 2020-10-16 CN disclosed
US-9904167-B2 Compound, active light sensitive or radiation sensitive resin composition, resist film using same, resist-coated mask blank, photomask, pattern forming method, method for manufacturing electronic device, and electronic device FUJIFILM CORPORATION (JP) 2018-02-27 US disclosed
US-20160116840-A1 COMPOUND, ACTIVE LIGHT SENSITIVE OR RADIATION SENSITIVE RESIN COMPOSITION, RESIST FILM USING SAME, RESIST-COATED MASK BLANK, PHOTOMASK, PATTERN FORMING METHOD, METHOD FOR MANUFACTURING ELECTRONIC DEVICE, AND ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2016-04-28 US disclosed
US-9200098-B2 Radiation-sensitive composition and compound JSR CORPORATION (JP) 2015-12-01 US disclosed
US-9200098-B2 Radiation-sensitive composition and compound JSR CORPORATION (JP) 2015-12-01 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-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-20120164582-A1 RADIATION-SENSITIVE COMPOSITION AND COMPOUND JSR CORPORATION (JP) 2012-06-28 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 (3 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-20160116840-A1 COMPOUND, ACTIVE LIGHT SENSITIVE OR RADIATION SENSITIVE RESIN COMPOSITION, RESIST FILM USING SAME, RESIST-COATED MASK BLANK, PHOTOMASK, PATTERN FORMING METHOD, METHOD FOR MANUFACTURING ELECTRONIC DEVICE, AND ELECTRONIC DEVICE CHRM1, ESR1, RER1 TDP1 4508/4885LMNA 2258/4885MAPK1 885/4885
US-20100143830-A1 SULFONIUM SALT, ACID GENERATOR, RESIST COMPOSITION, PHOTOMASK BLANK, AND PATTERNING PROCESS TYK2, VRK2, ARSA TDP1 4248/4885LMNA 3254/4885MAPK1 156/4885
US-20120164582-A1 RADIATION-SENSITIVE COMPOSITION AND COMPOUND RAD51, RER1, ATP6AP1 TDP1 3626/4885LMNA 3748/4885MAPK1 644/4885

“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.