SCHEMBL4862769 — predicted protein targets

Known targets — ChEMBL curated mechanism

ABL1 ADRA1A ADRA1B ADRA1D ADRA2A ADRA2B ADRA2C ADRB2 AGTR1 BCL2 BCL2A1 BCL2L1 BCL2L10 BCL2L2 BCR BRAF CHRM1 CHRNA10 CHRNA9 DRD1 DRD2 DRD3 DRD4 DRD5 EGFR F2 FLT1 FLT4 GCK GHSR GNRHR GRIN1 GRIN2A GRIN2B GRIN2C GRIN2D GRIN3A GRIN3B HTR1A HTR1B HTR1D HTR2A HTR2C HTR3A IDH2 KDR KIT MAOB MCL1 MTTP P P4HB PDGFRB PIK3CA PIK3CB PIK3CD PIK3CG PIK3R1 PIK3R2 PIK3R3 PIK3R5 PIKFYVE ROCK1 ROCK2 SLC18A2 SLC6A2 SLC6A3 SLC6A4 TACR1 TUBA1A TUBA1B TUBA1C TUBA3C TUBA3E TUBA4A TUBB TUBB1 TUBB2A TUBB2B TUBB3 TUBB4A TUBB4B TUBB6 TUBB8 gyrA gyrB parC parE pol

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 13)

	gene	UniProt	supporting neighbours	confidence
▸	GRIN1 known ✓	Q05586	1/20	0.31

▸	GRIN2B known ✓	Q13224	1/20	0.31

▸	MMP1	P03956	1/20	0.33

▸	MMP2	P08253	1/20	0.33

▸	ADAM17	P78536	1/20	0.33

▸	CHRNB2	P17787	2/20	0.32

▸	CHRNA4	P43681	2/20	0.32

▸	ABCB1	P08183	1/20	0.32

▸	EPHX2	P34913	1/20	0.32

▸	KMT2A	Q03164	2/20	0.32

▸	KDM4E	B2RXH2	1/20	0.32

▸	GRM5	P41594	1/20	0.31

▸	ALDH1A1	P00352	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.

Compound	similarity	top predicted	shared targets
SCHEMBL1976002	0.94	CHRNB2 (0.35)	CHRNB2CHRNA4ABCB1EPHX2KMT2A
SCHEMBL1972019	0.94	CHRNB2 (0.35)	CHRNB2CHRNA4ABCB1EPHX2KMT2A
SCHEMBL4863042	0.88	KMT2A (0.33)	MMP1MMP2ADAM17CHRNB2CHRNA4
SCHEMBL4863573	0.87	CYP19A1 (0.33)	MMP1MMP2ADAM17CHRNB2CHRNA4
SCHEMBL4864094	0.84	KCNA5 (0.38)	CHRNB2CHRNA4ALDH1A1
SCHEMBL1975867	0.84	KMT2A (0.36)	CHRNB2CHRNA4EPHX2KMT2AKDM4E
SCHEMBL2411065	0.83	CYP11B1 (0.39)	—
SCHEMBL2411071	0.83	CYP11B1 (0.39)	—
SCHEMBL315649	0.83	CHRNB1 (0.37)	CHRNB2
SCHEMBL315650	0.83	CHRNB1 (0.37)	CHRNB2

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-7470671-B2	Thioxylose compounds, preparation method thereof, pharmaceutical compositions containing same and use thereof in therapeutics	LABORATOIRE FOURNIER (FR)	2008-12-30	—	—	US	disclosed
US-20070054955-A1	Novel thioxylose compounds, preparation method thereof, pharmaceutical compositions containing same and use thereof in therepeutics.	LABORATOIRES FOURNIER S.A. (FR)	2007-03-08	—	—	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.

Patent	Title	Text reads most about	Predicted target · text-rank
US-20070054955-A1	Novel thioxylose compounds, preparation method thereof, pharmaceutical compositions containing same and use thereof in therepeutics.	NOTUM, STS, AGPS	GRIN1 4518/4885GRIN2B 4651/4885MMP1 1897/4885

“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.