SCHEMBL22901422

SCHEMBL22901422

C/C(=C\[C@@H](NC(=O)CN)C(C)C)C(=O)NOCc1ccc(N)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 4/20 0.37
ITGA5 P08648 4/20 0.37
ITGB3 P05106 3/20 0.37
ITGAV P06756 3/20 0.37
ACACB O00763 2/20 0.34
RAB9A P51151 4/20 0.34
NPC1 O15118 3/20 0.34
EPHX2 P34913 3/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PPID Q08752 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL22901346 0.73 TUBB1 (0.37) ITGB1ITGA5ITGB3ITGAVHDAC3
SCHEMBL16195828 0.64 RAB9A (0.51) ITGB1ITGA5ITGB3ITGAVRAB9A
SCHEMBL28333508 0.63 RAB9A (0.46) RAB9ANPC1CYP1A2CYP2C19ALDH1A1
SCHEMBL1036136 0.62 CTSC (0.35) ACACB
SCHEMBL21086725 0.62 KDM4E (0.37) NPC1ALDH1A1HDAC3HDAC6TPSAB1
SCHEMBL11736357 0.60 PPIB (0.44) ITGB1ITGA5ITGB3ITGAVCYP1A2
SCHEMBL2780015 0.60 TACR1 (0.44) ACACBCYP1A2ALDH1A1PPIDTPSAB1
SCHEMBL16588058 0.60 RAB9A (0.44) RAB9ANPC1EPHX2CYP1A2CYP2C19
SCHEMBL22661822 0.60 NPC1 (0.47) RAB9ANPC1CYP2C19ALDH1A1
SCHEMBL19037277 0.60 LMNA (0.43) ITGB1ITGA5ITGB3ITGAVCYP1A2

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-20210017274-A1 Drug-Conjugates With a Targeting Molecule and Two Different Drugs SORRENTO THERAPEUTICS, INC. (US) 2021-01-21 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-20210017274-A1 Drug-Conjugates With a Targeting Molecule and Two Different Drugs ERBB2, ABCG2, DYNLL2 ITGB1 504/4885ITGA5 242/4885ITGB3 477/4885

“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.