SCHEMBL4325161

SCHEMBL4325161

CC(c1ccccc1)C(CC(C(=O)O)c1nccs1)c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.48
CTSA P10619 14/20 0.47
NPC1 O15118 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL4325332 1.00 SLC6A9 (0.48) SLC6A9CTSANPC1MEN1ALDH1A1
SCHEMBL4325425 0.93 CTSA (0.45) SLC6A9CTSACYP1A2CYP3A4CYP2D6
SCHEMBL4329776 0.90 CTSA (0.43) SLC6A9CTSACYP1A2CYP3A4CYP2D6
SCHEMBL4341782 0.90 CTSA (0.43) SLC6A9CTSACYP1A2CYP3A4CYP2D6
SCHEMBL4322303 0.89 SLC6A9 (0.48) SLC6A9CTSANPC1MEN1ALDH1A1
SCHEMBL4320523 0.89 SLC6A9 (0.48) SLC6A9CTSANPC1MEN1ALDH1A1
SCHEMBL4335210 0.89 CTSA (0.47) CTSAMEN1KMT2A
SCHEMBL4333128 0.89 CTSA (0.47) CTSAMEN1KMT2A
SCHEMBL4322245 0.89 SLC6A9 (0.45) SLC6A9CTSAPKMCYP1A2CYP3A4
SCHEMBL4332670 0.89 SLC6A9 (0.45) SLC6A9CTSAPKMCYP1A2CYP3A4

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 SLC6A9 4323/4885CTSA 1028/4885NPC1 4407/4885

“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.