SCHEMBL1964224 — predicted protein targets

Known targets — ChEMBL curated mechanism

ABCC8 ACE ADORA1 ADORA2A ADORA2B ADORA3 ALDH5A1 ALOX5 ALOX5AP ATP4A ATP4B BRAF CA1 CA12 CA2 CA4 CYSLTR1 DHFR DPEP1 EDNRA EDNRB ESR2 F10 FDPS FGF1 GABBR1 GABBR2 GABRA1 GABRA2 GABRA3 GABRA4 GABRA5 GABRA6 GABRB1 GABRB2 GABRB3 GABRD GABRE GABRG1 GABRG2 GABRG3 GABRP GABRQ GART GNRHR GSC1 HMGCR IMPDH1 IMPDH2 KCNJ11 LY96 NOD2 NR3C1 NS3 NS4A NS5b P2RY1 P2RY12 P2RY2 P2RY4 P2RY6 PBP2X PDE3A PDE3B PDE4A PDE4B PDE4C PDE4D PDK1 PDK2 PDK3 PDK4 PPARG PPAT PTGIR PTGS1 PTGS2 RAF1 RYR1 RYR3 SCN10A SCN11A SCN1A SCN2A SCN3A SCN4A SCN5A SCN7A SCN8A SCN9A SERPINC1 SLC12A1 SLC12A3 SYK THRA THRB TLR3 TLR4 TLR9 TUBA1A TUBA1B TUBA1C TUBA3C TUBA3E TUBA4A TUBB TUBB1 TUBB2A TUBB2B TUBB3 TUBB4A TUBB4B TUBB6 TUBB8 TYMS VKORC1 XDH bla blaIMP-1 blaOXA-33 blaOXA-58 blaT-3 blaT-4 blaT-5 blaT-6 dacA dacB dacC folA folP folP1 ftsI fusA gag gyrA gyrB mecA mrcA mrcB mrdA pbp1a pbp1b pbp2 pbp2a pbp2b pbp3 pbp4 pbpA pbpB pbpC pbpF pol ponB rplA rplB rplC rplD rplE rplF rplJ rplK rplL rplM rplN rplO rplP rplQ rplR rplS rplT rplU rplV rplW rplX rplY rpmA rpmB rpmC rpmD rpmE rpmF rpmG rpmH rpmI rpmJ rpoA rpoB rpoC rpoZ rpsA rpsB rpsC rpsD rpsE rpsF rpsG rpsH rpsI rpsJ rpsK rpsL rpsM rpsN rpsO rpsP rpsQ rpsR rpsS rpsT rpsU ykgM ykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	DUSP5	Q16690	3/20	0.50

▸	PTPN1	P18031	2/20	0.33

▸	DUSP6	Q16828	1/20	0.33

▸	KDM4E	B2RXH2	2/20	0.32

▸	MEN1	O00255	2/20	0.32

▸	LMNA	P02545	2/20	0.32

▸	CYP1A2	P05177	2/20	0.32

▸	POLB	P06746	2/20	0.32

▸	CYP3A4	P08684	2/20	0.32

▸	MAPT	P10636	2/20	0.32

▸	CYP2C9	P11712	2/20	0.32

▸	PKM	P14618	2/20	0.32

▸	NFKB1	P19838	2/20	0.32

▸	APEX1	P27695	2/20	0.32

▸	CYP2C19	P33261	2/20	0.32

▸	BRCA1	P38398	2/20	0.32

▸	STAT1	P42224	2/20	0.32

▸	STAT5A	P42229	2/20	0.32

▸	RECQL	P46063	2/20	0.32

▸	P2RX1	P51575	2/20	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.

Compound	similarity	top predicted	shared targets
SCHEMBL6934631	0.79	DUSP5 (0.50)	DUSP5PTPN1DUSP6TDP1
SCHEMBL10824844	0.76	ALDH1A1 (0.40)	DUSP5PTPN1DUSP6LMNACYP2C9
SCHEMBL6934439	0.75	DUSP5 (0.47)	DUSP5PTPN1DUSP6LMNACYP2C19
SCHEMBL1965566	0.75	ALDH1A1 (0.52)	MEN1LMNACYP1A2POLBCYP3A4
SCHEMBL117155	0.73	ATM (0.52)	DUSP5MAPT
SCHEMBL31388199	0.72	PTGDR2 (0.40)	MEN1LMNAPOLBKMT2AHSD17B10
SCHEMBL10448366	0.71	DUSP5 (0.51)	DUSP5PTPN1DUSP6KDM4EMEN1
SCHEMBL3389364	0.70	ALDH1A1 (0.53)	MEN1LMNACYP2C9PKMCYP2C19
SCHEMBL10809528	0.70	DUSP5 (0.39)	DUSP5
2,4,5-Trichlorophenoxyacetic Acid SCHEMBL7626573	0.68	LMNA (0.44)	PTPN1KDM4EMEN1LMNAMAPT

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20110144373-A1	WATER-SOLUBLE DEGRADABLE PHOTO-CROSSLINKER	SURMODICS, INC. (US)	2011-06-16	—	—	US	disclosed
WO-2011072199-A2	WATER-SOLUBLE DEGRADABLE PHOTO-CROSSLINKER	SURMODICS, INC. (US)	2011-06-16	—	—	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.

Patent	Title	Text reads most about	Predicted target · text-rank
US-20110144373-A1	WATER-SOLUBLE DEGRADABLE PHOTO-CROSSLINKER	PLG, USP28, DCLRE1A	DUSP5 4422/4885PTPN1 3576/4885DUSP6 3492/4885

“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.