SCHEMBL2519976

SCHEMBL2519976

CCOC(=O)c1cc2n(c1)CCNC2OC(=O)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ PLAT P00750 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ FDFT1 P37268 1/20 0.32
▸ ALOX5 P09917 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
Trifluoroacetic Acid SCHEMBL2519975 0.70 ALDH1A1 (0.39) NPSR1CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL2519720 0.66 CA12 (0.41) CYP1A2ALDH1A1CA12CA1CA2
Trifluoroacetic Acid SCHEMBL2522513 0.66 ALDH1A1 (0.36) NPSR1CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL2524424 0.65 PLK4 (0.43) ALDH1A1CA12CA1CA2CA7
SCHEMBL4042066 0.64 — —
SCHEMBL12211189 0.62 RAB9A (0.40) ALDH1A1CA12CA1CA2CA7
SCHEMBL2521094 0.61 RPS6KA3 (0.43) ALDH1A1CA12CA1CA2CA7
SCHEMBL4037874 0.61 — —
SCHEMBL25318763 0.61 RAB9A (0.45) CYP1A2CYP2C19ALDH1A1CA12CA1
SCHEMBL12283967 0.60 CYP2C9 (0.45) CYP1A2CYP2C19ALDH1A1CA12CA1

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-20150175614-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2015-06-25 — — US disclosed
US-8946223-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-02-03 — — US disclosed
WO-2011130163-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-20 — — WO disclosed
US-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-13 — — 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 (2 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-20150175614-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 NPSR1 1255/4885CYP1A2 1772/4885CYP2D6 3113/4885
US-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 NPSR1 1255/4885CYP1A2 1772/4885CYP2D6 3113/4885

“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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