SCHEMBL23518953

SCHEMBL23518953

COC(=O)c1cc(I)cc(I)c1OC(F)(F)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 3/20 0.44
▸ CFTR P13569 2/20 0.43
▸ SOS1 Q07889 1/20 0.38
▸ POLB P06746 3/20 0.34
▸ NLRP3 Q96P20 1/20 0.34
▸ KDM4E B2RXH2 6/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ TPMT P51580 1/20 0.32
▸ CA12 O43570 2/20 0.31
▸ CA1 P00915 2/20 0.31
▸ CA2 P00918 2/20 0.31
▸ CA7 P43166 2/20 0.31
▸ CA9 Q16790 2/20 0.31
▸ CA14 Q9ULX7 2/20 0.31
▸ PDK2 Q15119 1/20 0.31
▸ PDK4 Q16654 1/20 0.31
▸ PTPN1 P18031 1/20 0.31
▸ NQO2 P16083 1/20 0.30

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
SCHEMBL23518944 0.86 NOTUM (0.34) NOTUMCFTRPOLBNLRP3
SCHEMBL23518943 0.85 MAOB (0.39) NOTUMPOLBNLRP3TPMTPTPN1
SCHEMBL24360978 0.84 TSHR (0.41) NOTUMCFTRPOLBNLRP3KDM4E
SCHEMBL23519003 0.83 NOTUM (0.36) NOTUMPOLBNLRP3TPMT
SCHEMBL23518980 0.82 GABRA1 (0.35) NOTUM
SCHEMBL23518975 0.80 SCN1A (0.31) NOTUM
SCHEMBL24361104 0.80 CFTR (0.40) NOTUMCFTRSOS1POLBNLRP3
SCHEMBL1530644 0.78 KDM4E (0.45) CFTRPOLBNLRP3KDM4EALDH1A1
SCHEMBL24360874 0.78 VCAM1 (0.42) CFTRSOS1POLBNLRP3
SCHEMBL23518947 0.77 NOTUM (0.53) NOTUMCFTRSOS1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210179554-A1 ONIUM SALT COMPOUND, CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-06-17 — — 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-20210179554-A1 ONIUM SALT COMPOUND, CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SLC6A5, LIFR, SLC6A9 NOTUM 576/4885CFTR 2281/4885SOS1 773/4885

“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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