SCHEMBL353948

SCHEMBL353948

CC(C)(C)[S@@+]([O-])NC1CCCc2cc(C(=O)O)ccc21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
HTT P42858 1/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 3/20 0.41
TAS1R3 Q7RTX0 3/20 0.40
TAS1R1 Q7RTX1 3/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
TAS1R2 Q8TE23 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SRD5A1 P18405 1/20 0.38
SRD5A2 P31213 1/20 0.38
KDM1A O60341 1/20 0.38
POLB P06746 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
SCHEMBL459433 1.00 CYP1A2 (0.44) CYP1A2HTTLMNAALDH1A1TAS1R3
SCHEMBL12505564 1.00 CYP1A2 (0.44) CYP1A2HTTLMNAALDH1A1TAS1R3
SCHEMBL12505565 1.00 CYP1A2 (0.44) CYP1A2HTTLMNAALDH1A1TAS1R3
SCHEMBL10247297 0.85 HTT (0.40) HTTLMNAALDH1A1KDM4EPOLB
SCHEMBL354998 0.85 HTT (0.40) HTTLMNAALDH1A1KDM4EPOLB
SCHEMBL28798843 0.80 LMNA (0.36) HTTLMNAALDH1A1TAS1R3TAS1R1
SCHEMBL15945562 0.77 LMNA (0.46) HTTLMNAALDH1A1TAS1R3TAS1R1
SCHEMBL16543123 0.77 LMNA (0.46) HTTLMNAALDH1A1TAS1R3TAS1R1
SCHEMBL19973512 0.76 TAS1R3 (0.40) CYP1A2LMNATAS1R3TAS1R1KMT2A
SCHEMBL19973513 0.76 TAS1R3 (0.40) CYP1A2LMNATAS1R3TAS1R1KMT2A

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 3 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
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

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 CYP1A2 1438/4885HTT 113/4885LMNA 1529/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 CYP1A2 519/4885HTT 50/4885LMNA 2546/4885

“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.