SCHEMBL4322239

SCHEMBL4322239

CC(CCC(C(=O)O)c1nccs1)c1ccc(Br)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSA P10619 10/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GPR139 Q6DWJ6 1/20 0.35
FFAR2 O15552 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL4320613 0.88 FFAR2 (0.38) KMT2AMEN1NPC1RAB9ACYP1A2
SCHEMBL4325302 0.86 FPR2 (0.38) CTSAKMT2AMEN1NPC1RAB9A
SCHEMBL29233260 0.75 CYP1A2 (0.50) CTSACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4329564 0.75 CTSA (0.36) CTSAKMT2AALDH1A1SMN1; SMN2
SCHEMBL2041453 0.73 CYP1A2 (0.42) CTSACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10862235 0.72 CTSA (0.42) CTSAALDH1A1LMNA
SCHEMBL6179952 0.72 ALDH1A1 (0.44) CTSACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9782237 0.72 CYP1A2 (0.41) CTSACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5742799 0.71 CTSK (0.44) CTSAKMT2AMEN1NPC1RAB9A
SCHEMBL2155564 0.71 CTSK (0.44) CTSAKMT2AMEN1NPC1RAB9A

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-7521563-B2 Hydroxamic acid derivative and medicine containing the same as active ingredient SHIZUOKA COFFEIN CO., LTD. (JP) 2009-04-21 US disclosed
US-20070208065-A1 Hydroxamic Acid Derivative and Medicine Containing the Same as Active Ingredient SHIZUOKA COFFEIN CO., LTD. (JP) 2007-09-06 US disclosed
EP-1787986-A1 HYDROXAMIC ACID DERIVATIVE AND MEDICINE CONTAINING THE SAME AS ACTIVE INGREDIENT SHIZUOKA COFFEIN CO., LTD. (JP) 2007-05-23 EP 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-20070208065-A1 Hydroxamic Acid Derivative and Medicine Containing the Same as Active Ingredient IL6, IL1A, TNF CTSA 1028/4885KMT2A 1615/4885MEN1 3484/4885

“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.