SCHEMBL10330429

SCHEMBL10330429

O=C1C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=C(CO)S(=O)(=O)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 2/20 0.45
▸ MAOB P27338 3/20 0.38
▸ TACR1 P25103 4/20 0.37
▸ CA12 O43570 3/20 0.36
▸ CA9 Q16790 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CA1 P00915 2/20 0.36
▸ RAB9A P51151 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
SCHEMBL10330427 0.81 CHEK1 (0.50) CHEK1ALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL10330434 0.78 CHEK1 (0.45) CHEK1MAOBALDH1A1SMN1; SMN2KMT2A
SCHEMBL10330432 0.77 CHEK1 (0.47) CHEK1MAOBALDH1A1HPGDSMN1; SMN2
SCHEMBL10330428 0.73 MAPT (0.50) CHEK1MAOBALDH1A1HPGDSMN1; SMN2
SCHEMBL22386440 0.68 MAPT (0.34) MAOBTACR1CA12CA9HPGD
SCHEMBL22386453 0.68 MAOB (0.33) MAOBTACR1CA12CA9HPGD
SCHEMBL10330433 0.66 ALOX5 (0.40) CHEK1ALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL19827143 0.65 CHEK1 (0.42) CHEK1ALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL23934168 0.65 AR (0.50) TACR1ALDH1A1MEN1KMT2A
SCHEMBL19821675 0.63 HSP90AA1 (0.43) CHEK1ALDH1A1HPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222429-B2 Photodissociable protective group National University Corporation NARA Institute of Science and Technology (JP) 2012-07-17 — — US disclosed
US-8222429-B2 Photodissociable protective group National University Corporation NARA Institute of Science and Technology (JP) 2012-07-17 — — US disclosed
US-20110028738-A1 PHOTODISSOCIABLE PROTECTIVE GROUP National University Corporation NARA Institute of Science and Technology (JP) 2011-02-03 — — US disclosed
US-20110028738-A1 PHOTODISSOCIABLE PROTECTIVE GROUP National University Corporation NARA Institute of Science and Technology (JP) 2011-02-03 — — 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-20110028738-A1 PHOTODISSOCIABLE PROTECTIVE GROUP CRY2, CRY1, APEX1 CHEK1 1181/4885MAOB 1720/4885TACR1 4870/4885

“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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