SCHEMBL17825682

SCHEMBL17825682

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.47
HIF1A Q16665 2/20 0.47
CYP1A2 P05177 3/20 0.45
CYP2D6 P10635 1/20 0.45
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
GRM6 O15303 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KCNN4 O15554 1/20 0.36
KIF11 P52732 1/20 0.36
BCHE P06276 1/20 0.36

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
SCHEMBL23094097 0.89 MAPT (0.47) CYP2C19HIF1ACYP1A2CYP2D6KMT2A
SCHEMBL27644513 0.88 CYP1A2 (0.43) CYP2C19HIF1ACYP1A2CYP2D6KMT2A
SCHEMBL2795231 0.86 MIF (0.42) CYP2C19CYP1A2CYP2D6KMT2AMEN1
SCHEMBL17079754 0.84 CYP1A2 (0.42) CYP2C19HIF1ACYP1A2CYP2D6KMT2A
SCHEMBL28660324 0.80 CYP2C19 (0.53) CYP2C19HIF1ACYP1A2CYP2D6KMT2A
SCHEMBL1593582 0.80 CYP2C19 (0.53) CYP2C19HIF1AKMT2AMAPTMTNR1A
SCHEMBL6647551 0.77 CYP2C19 (0.56) CYP2C19HIF1ACYP1A2CYP2D6KMT2A
SCHEMBL6464415 0.77 CYP2C19 (0.56) CYP2C19HIF1ACYP1A2CYP2D6KMT2A
SCHEMBL27823794 0.77 CYP2C19 (0.56) CYP2C19HIF1ACYP1A2CYP2D6KMT2A
SCHEMBL8783850 0.77 HIF1A (0.53) CYP2C19HIF1ACYP1A2CYP2D6KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023226965-A1 ROCK INHIBITORS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2023-11-30 WO disclosed
CN-111138421-A Antifungal water-soluble compound and preparation method and application thereof 上海英诺富成生物科技有限公司 2020-05-12 CN disclosed
EP-3229801-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2020-04-01 EP disclosed
CN-106029672-B serine/threonine kinase inhibitors 基因泰克公司 2019-03-29 CN disclosed
US-20180030036-A1 Factor IXa Inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-01 US disclosed
EP-3229801-A1 FACTOR IXA INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-10-18 EP disclosed
CN-106029672-A Serine/threonine kinase inhibitors 基因泰克公司 2016-10-12 CN disclosed
WO-2016094260-A1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-16 WO 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-20180030036-A1 Factor IXa Inhibitors F9, TFPI, F12 CYP2C19 294/4885HIF1A 387/4885CYP1A2 1111/4885

“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.