Sulfuric Acid

SCHEMBL7274239

N=C(N)NCCC[C@@H](C=O)NC(=O)OCc1ccccc1.N=C(N)NCCC[C@@H](C=O)NC(=O)OCc1ccccc1.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA1A ADRA1B ADRA1D ADRA2A ADRA2B ADRA2C ADRB1 ADRB2 ADRB3 CALCRL CHRM1 CHRM2 CHRM3 F2R MAOA MAOB MAP2K1 MAP2K2 NTRK1 NTRK2 NTRK3 OPRD1 OPRK1 OPRM1 P2RY12 PKLR SCN10A SCN11A SCN1A SCN2A SCN3A SCN4A SCN5A SCN7A SCN8A SCN9A SLC18A2 SLC6A2 SLC6A3 TLR7 TLR9 TUBA1A TUBA1B TUBA1C TUBA3C TUBA3E TUBA4A TUBB TUBB1 TUBB2A TUBB2B TUBB3 TUBB4A TUBB4B TUBB6 TUBB8 dacA dacB dacC folA ftsI mrcA mrcB mrdA pol rplA rplB rplC rplD rplE rplF rplI rplJ rplK rplL rplM rplN rplO rplP rplQ rplR rplS rplT rplU rplV rplW rplX rplY rpmA rpmB rpmB1 rpmB2 rpmC rpmD rpmE rpmE2 rpmF rpmG rpmG1 rpmG2 rpmH rpmI rpmJ rpmJ2 rpsA rpsB rpsC rpsD rpsE rpsF rpsG rpsH rpsI rpsJ rpsK rpsL rpsM rpsN rpsO rpsP rpsQ rpsR rpsR1 rpsR2 rpsS rpsT rpsU rpsZ ykgM ykgO

The experimentally established mechanism targets of Sulfuric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	CTSK	P43235	8/20	0.49

▸	SIRT2	Q8IXJ6	1/20	0.45

▸	TGM2	P21980	3/20	0.45

▸	CTSL	P07711	2/20	0.44

▸	CTSB	P07858	2/20	0.44

▸	CA1	P00915	1/20	0.44

▸	CA2	P00918	1/20	0.44

▸	CTSH	P09668	1/20	0.44

▸	MMP2	P08253	1/20	0.44

▸	MMP9	P14780	1/20	0.44

▸	FOLH1	Q04609	1/20	0.44

▸	HTT	P42858	1/20	0.44

▸	SIRT5	Q9NXA8	1/20	0.43

▸	PSMB1	P20618	1/20	0.43

▸	PSMB5	P28074	1/20	0.43

▸	PSMB2	P49721	1/20	0.43

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
Sulfuric Acid SCHEMBL7272355	1.00	CTSK (0.49)	CTSKSIRT2TGM2CTSLCTSB
SCHEMBL7264476	0.96	CTSK (0.53)	CTSKSIRT2TGM2CTSLCTSB
SCHEMBL5980007	0.96	CTSK (0.53)	CTSKSIRT2TGM2CTSLCTSB
SCHEMBL7266455	0.96	CTSK (0.53)	CTSKSIRT2TGM2CTSLCTSB
SCHEMBL9135873	0.87	HTT (0.46)	CTSKTGM2CTSLCTSBCTSH
SCHEMBL9135888	0.87	HTT (0.46)	CTSKTGM2CTSLCTSBCTSH
SCHEMBL24152311	0.84	FOLH1 (0.58)	CTSKTGM2MMP2MMP9FOLH1
SCHEMBL8607096	0.84	FOLH1 (0.58)	CTSKTGM2MMP2MMP9FOLH1
SCHEMBL29959455	0.84	CTSL (0.48)	SIRT2CTSLSIRT5
Hydrochloric Acid SCHEMBL11145577	0.83	PSMB1 (0.61)	CTSKCTSLCTSBPSMB1PSMB5

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
EP-0185390-B1	TRIPEPTIDYL-ARGININALDEHYDE, PROCESS FOR ITS PREPARATION AND MEDICAMENTS THEREOF, AS WELL AS N-(MONOALKYL) AND N,N-DI-(ALKYL)-XXX-L-PROLINE DIPEPTIDE	RICHTER GEDEON VEGYESZETI GYAR R.T. (HU)	1991-10-02	—	—	EP	disclosed
EP-0185390-A2	Tripeptidyl-argininaldehyde, process for its preparation and medicaments thereof, as well as N-(monoalkyl) and N,N-di-(alkyl)-Xxx-L-proline dipeptide	RICHTER GEDEON VEGYESZETI GYAR R.T. (HU)	1986-06-25	—	—	EP	disclosed