Sugi Predict

Sugi Predict / Compounds / SCHEMBL354998

SCHEMBL354998

SCHEMBL354998

CCOC(=O)c1ccc2c(c1)CCC[C@H]2N[S@+]([O-])C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.40
▸ MAPT P10636 5/20 0.40
▸ POLB P06746 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ RAB9A P51151 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ PTGER4 P35408 1/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA9 Q16790 1/20 0.37

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
SCHEMBL10247297 1.00 HTT (0.40) HTTMAPTPOLBTDP1ALOX15
SCHEMBL353948 0.85 CYP1A2 (0.44) HTTPOLBALDH1A1LMNAKDM4E
SCHEMBL459433 0.85 CYP1A2 (0.44) HTTPOLBALDH1A1LMNAKDM4E
SCHEMBL12505565 0.85 CYP1A2 (0.44) HTTPOLBALDH1A1LMNAKDM4E
SCHEMBL12505564 0.85 CYP1A2 (0.44) HTTPOLBALDH1A1LMNAKDM4E
SCHEMBL21189270 0.79 TAS1R3 (0.41) MAPTTDP1ALDH1A1KDM4ECA1
SCHEMBL28798843 0.75 LMNA (0.36) HTTPOLBALDH1A1LMNA
SCHEMBL10247209 0.75 ALOX15 (0.47) HTTMAPTALOX15RAB9AALDH1A1
SCHEMBL10247494 0.75 ALOX15 (0.47) HTTMAPTALOX15RAB9AALDH1A1
SCHEMBL30644700 0.74 DRD2 (0.42) MAPTTDP1ALOX15ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 — — US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 — — US disclosed
WO-2012012322-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-26 — — WO disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 — — US disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 — — US disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 — — 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-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 HTT 113/4885MAPT 1965/4885POLB 306/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 HTT 50/4885MAPT 1299/4885POLB 660/4885

“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.