SCHEMBL25519601

SCHEMBL25519601

C=C(C)c1ccc(C(C)(C)NC(=O)O[C@H]2CCn3ccnc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
NSD2 O96028 1/20 0.37
HTT P42858 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SSTR4 P31391 2/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
POLB P06746 1/20 0.33
ACACB O00763 1/20 0.32

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
SCHEMBL25519258 0.80 GAA (0.33) LMNASSTR4SMN1; SMN2
SCHEMBL9040917 0.76 TSHR (0.44) TSHRALDH1A1LMNANSD2HTT
SCHEMBL25519260 0.75 EPHX1 (0.36) ALDH1A1LMNAMEN1KMT2ASSTR4
SCHEMBL25519241 0.73 CHRM2 (0.34) TSHRKDM4EMEN1KMT2APOLB
SCHEMBL19220263 0.73 CHRM2 (0.34) TSHRKDM4EMEN1KMT2APOLB
SCHEMBL25519261 0.70 CDK2 (0.37) TSHRALDH1A1KDM4ESMN1; SMN2
SCHEMBL8061740 0.70 TSHR (0.50) TSHRALDH1A1LMNAHTTKDM4E
SCHEMBL25519242 0.69 GPR119 (0.38) POLB
SCHEMBL9039587 0.69 HTT (0.57) TSHRALDH1A1LMNANSD2HTT
SCHEMBL25519266 0.68 CNR2 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11655255-B2 Method for catalytic asymmetric synthesis of phosphorus-stereogenic (P-stereogenic) nucleoside derivative and catalyst used therein SPH NO.1 BIOCHEMICAL & PHARMACEUTICAL CO., LTD. (CN) 2023-05-23 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-11655255-B2 Method for catalytic asymmetric synthesis of phosphorus-stereogenic (P-stereogenic) nucleoside derivative and catalyst used therein PNP, TYMP, MTAP TSHR 4483/4885ALDH1A1 2974/4885LMNA 948/4885

“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.