SCHEMBL5325671

SCHEMBL5325671

CC(CCC(N)C(=O)O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.50
GRM2 Q14416 2/20 0.50
GRM3 Q14832 2/20 0.50
ALPI P09923 1/20 0.48
PKM P14618 1/20 0.48
PTGS1 P23219 1/20 0.48
XIAP P98170 1/20 0.48
SLC7A5 Q01650 1/20 0.48
TAAR1 Q96RJ0 2/20 0.48
LTA4H P09960 1/20 0.47
RIPK1 Q13546 1/20 0.47

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
SCHEMBL5321979 0.84 KIF11 (0.53) KIF11
SCHEMBL5924700 0.83 GRM2 (0.61) GRM2GRM3ALPIPKMPTGS1
SCHEMBL5325189 0.83 GRM2 (0.61) GRM2GRM3ALPIPKMPTGS1
SCHEMBL18886173 0.83 GRM2 (0.61) GRM2GRM3ALPIPKMPTGS1
SCHEMBL6255681 0.83 GRM2 (0.61) GRM2GRM3ALPIPKMPTGS1
SCHEMBL5924823 0.83 GRM2 (0.61) GRM2GRM3ALPIPKMPTGS1
SCHEMBL27665699 0.83 KMT2A (0.51) KIF11PTGS1TAAR1LTA4HRIPK1
SCHEMBL5323354 0.82 UGT2B7 (0.47) KIF11
SCHEMBL27254858 0.82 PMP22 (0.50) KIF11GRM2GRM3ALPIPKM
Hydrochloric Acid SCHEMBL10792123 0.81 GRM2 (0.59) GRM2GRM3ALPIPKMPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113967258-B FAP-activated therapeutic agents and related uses 塔夫茨大学信托人 2024-07-02 CN disclosed
CN-113967258-A FAP-activated therapeutics and uses related thereto 塔夫茨大学信托人 2022-01-25 CN disclosed
CN-113956325-A FAP-activated therapeutics and uses related thereto 塔夫茨大学信托人 2022-01-21 CN disclosed
CN-113786495-A FAP-activated therapeutics and uses related thereto 塔夫茨大学信托人 2021-12-14 CN disclosed
CN-106573073-B FAP-activated therapeutics and uses related thereto 塔夫茨大学信托人 2021-09-28 CN disclosed
CN-106573073-A FAP-activated therapeutics and uses related thereto 塔夫茨大学信托人 2017-04-19 CN disclosed
CN-101766546-B Association of monosaccharides and C-glycoside derivatives and its use in cosmetics OREAL 2013-06-19 CN disclosed
CN-101766546-A Association of monosaccharides and C-glycoside derivatives and its use in cosmetics OREAL 2010-07-07 CN disclosed
US-20070258899-A1 Diagnostic and therapeutic agents KARYON-CTT LTD (FI) 2007-11-08 US disclosed
WO-2007113385-A1 DIAGNOSTIC AND THERAPEUTIC AGENTS KARYON-CTT LTD (FI) 2007-10-11 WO disclosed
US-4808713-A Anthypertensive pyridazo [1,2-a][1,2]diazepines HOFFMAN-LA ROCHE INC. (US) 1989-02-28 US disclosed
US-4772701-A Pyridazo[1,2]pyridazines and pyrazolo[1,2]pyridazines as antihypertensives HOFFMANN-LA ROCHE INC. (US) 1988-09-20 US disclosed
US-4658024-A Pyrazolo [1,2-a][1,2]-diazepines useful as antihypertensives HOFFMANN-LA ROCHE INC. (US) 1987-04-14 US disclosed
US-4512924-A HYPOTENSIVE AGENTS HOFFMANN-LA ROCHE INC. (US) 1985-04-23 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 (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-20070258899-A1 Diagnostic and therapeutic agents YBX1, MLX, TPX2 KIF11 1678/4885GRM2 4412/4885GRM3 4121/4885

“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.