SCHEMBL6319788

SCHEMBL6319788

NCC(=O)NCCSSCCNC(=O)CN

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.38
CA1 P00915 4/20 0.38
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 3/20 0.36
LMNA P02545 2/20 0.36
HIF1A Q16665 1/20 0.35
ALDH1A1 P00352 3/20 0.34
CA9 Q16790 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RAB9A P51151 1/20 0.33
HDAC3 O15379 2/20 0.33
HDAC4 P56524 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC10 Q969S8 2/20 0.33
HDAC11 Q96DB2 2/20 0.33
HDAC8 Q9BY41 2/20 0.33

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
SCHEMBL8582768 0.93 TSHR (0.43) CA2CA1NPC1USP2TSHR
Trifluoroacetic Acid SCHEMBL7711992 0.86 NPC1 (0.33) CA2CA1NPC1USP2LMNA
SCHEMBL9506089 0.86 MEN1 (0.39) CA2CA1TSHRLMNAALDH1A1
SCHEMBL9506086 0.82 ALDH1A1 (0.46) HIF1AALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL10036637 0.81
Alethine SCHEMBL689905 0.81 TSHR (0.41) CA2CA1TSHRLMNAHIF1A
SCHEMBL3074874 0.81 CA2 (0.44) CA2CA1ALDH1A1MEN1KMT2A
SCHEMBL9505929 0.78 CA1 (0.43) CA2CA1TSHRLMNAHIF1A
SCHEMBL10490814 0.78 CYP2C19 (0.43) CA2CA1NPC1USP2TSHR
SCHEMBL559906 0.77 ALDH1A1 (0.56) CA2CA1NPC1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0432000-B1 REDUCING COMPOSITION FOR PERMANENT HAIRWAVING, COMPRISING AS REDUCING AGENT AN AMINO-MERCAPTOALKYLAMIDE OR ONE OF ITS SALTS, AND ITS USE IN A PROCESS FOR PERMANENT HAIRWAVING L'OREAL (FR) 1993-08-11 EP claimed
US-20050222083-A1 Thiol-modified hyaluronan ANIKA THERAPEUTICS, INC. (US) 2005-10-06 US disclosed
US-6884788-B2 Thiol-modified hyaluronan ANIKA THERAPEUTICS, INC. (US) 2005-04-26 US disclosed
US-6852719-B2 Dietetics; antidiabetic agents; antiinflammatory agents PFIZER INC. (US) 2005-02-08 US disclosed
US-20040038934-A1 Thiol-modified hyaluronan ANIKA THERAPEUTICS, INC. 2004-02-26 US disclosed
US-6361777-B1 COVALENTLY COUPLING POLYSACCHARIDE TO BIOPOLYMER HAVING HYDROXYL, AMINO AND/OR MERCAPTO GROUPS BY ACTIVATING POLYSACCHARIDE WITH CYANOGEN BROMIDE, THIOLATING WITH AMINOTHIOL LINKER, REACTING WITH BIOPOLYMER DE STAAT DER NEDERLANDEN,VERTEGENWOORDIGD DOOR DE MINISTER VAN WELZIJN, VOLKSGEZONDHEID EN CULTUUR (NL) 2002-03-26 US disclosed
EP-0848011-B1 Method of coupling polysaccharides to proteins NEDERLANDEN STAAT (NL) 2001-03-21 EP disclosed
WO-1998027107-A1 METHOD OF COUPLING POLYSACCHARIDES TO PROTEINS DE STAAT DER NEDERLANDEN, VERTEGENWOORDIGD DOOR DE MINISTER VAN WELZIJN, VOLKSGEZONDHEID EN CULTUUR (NL) 1998-06-25 WO disclosed
EP-0848011-A1 Method of coupling polysaccharides to proteins DE STAAT DER NEDERLANDEN VERTEGENWOORDIGD DOOR DE MINISTER VAN WELZIJN, VOLKSGEZONDHEID EN CULTUUR (NL) 1998-06-17 EP disclosed
US-4816482-A Radioprotective agents having an amino-thioalkyl structure CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1989-03-28 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 (2 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-20040038934-A1 Thiol-modified hyaluronan CD44, UACA, TST CA2 1263/4885CA1 1632/4885NPC1 4707/4885
US-20050222083-A1 Thiol-modified hyaluronan CD44, UACA, TST CA2 1263/4885CA1 1632/4885NPC1 4707/4885

“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.