SCHEMBL5954434

SCHEMBL5954434

C=CCNC(C)(C)C(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.35
DGAT1 O75907 1/20 0.34
MAPK1 P28482 1/20 0.34
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 2/20 0.33
FAAH O00519 1/20 0.32
KMT2A Q03164 1/20 0.31
CYP2C19 P33261 1/20 0.31
POLB P06746 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
Hydrochloric Acid SCHEMBL10962377 0.98 PKM (0.34) PKMDGAT1MAPK1MAPTALDH1A1
SCHEMBL6170683 0.78 TSHR (0.35) PKMMAPK1MAPTALDH1A1SMN1; SMN2
SCHEMBL8593888 0.78 TSHR (0.35) PKMMAPK1MAPTSMN1; SMN2TSHR
SCHEMBL28388635 0.77 MAPK1 (0.33) PKMMAPK1
SCHEMBL2850386 0.77 TSHR (0.37) MAPTALDH1A1SMN1; SMN2TSHRKDM4E
Water SCHEMBL10920606 0.77 TSHR (0.34) MAPK1MAPTALDH1A1SMN1; SMN2TSHR
SCHEMBL22117217 0.76 ALDH1A1 (0.47) MAPTALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL28386507 0.75 MAPK1 (0.33) MAPK1
SCHEMBL26292325 0.73 DGAT1 (0.39) DGAT1ALDH1A1TSHR
SCHEMBL15806772 0.73 DGAT1 (0.39) DGAT1ALDH1A1TSHRPOLB

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-10858344-B2 Hydantoin containing deoxyuridine triphosphatase inhibitors CV6 THERAPEUTICS (NI) LIMITED (GB) 2020-12-08 US disclosed
WO-2018098206-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed
US-20060025589-A1 2-Thiohydantoine derivative compounds and use thereof for the treatment of diabetes LABORATOIRES FOURNIER S.A. (FR) 2006-02-02 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-10858344-B2 Hydantoin containing deoxyuridine triphosphatase inhibitors DUT, TYMP, DPYD PKM 3520/4885DGAT1 862/4885MAPK1 4178/4885
US-20060025589-A1 2-Thiohydantoine derivative compounds and use thereof for the treatment of diabetes LIPC, CYP4F2, SLC5A2 PKM 1575/4885DGAT1 118/4885MAPK1 2967/4885

“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.