SCHEMBL6203085

SCHEMBL6203085

Cn1ccnc1SCC(=O)c1ccc(Cl)cc1

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.97
RAB9A P51151 8/20 0.97
NPC1 O15118 7/20 0.97
POLB P06746 5/20 0.97
SMN1; SMN2 Q16637 2/20 0.97
KMT2A Q03164 5/20 0.76
MAPT P10636 4/20 0.76
MEN1 O00255 3/20 0.76
TP53 P04637 2/20 0.76
HPGD P15428 1/20 0.76
ALOX12 P18054 1/20 0.76
HSD17B10 Q99714 1/20 0.76
GAA P10253 2/20 0.70
LMNA P02545 2/20 0.69
ALPL P05186 1/20 0.68
ALPG P10696 1/20 0.68
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65

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
SCHEMBL6320487 0.86 ALDH1A1 (1.00) ALDH1A1RAB9ANPC1POLBSMN1; SMN2
SCHEMBL11887704 0.86 RAB9A (0.75) ALDH1A1RAB9ANPC1POLBSMN1; SMN2
SCHEMBL6327761 0.83 ALPL (0.71) ALDH1A1RAB9ANPC1POLBSMN1; SMN2
SCHEMBL1770050 0.79 ALDH1A1 (0.64) ALDH1A1RAB9ANPC1POLBSMN1; SMN2
SCHEMBL24943936 0.79 ALDH1A1 (1.00) ALDH1A1RAB9ANPC1POLBSMN1; SMN2
SCHEMBL1769927 0.77 ALDH1A1 (0.61) ALDH1A1RAB9ANPC1POLBSMN1; SMN2
SCHEMBL9805593 0.77 ALDH1A1 (0.61) ALDH1A1RAB9ANPC1POLBSMN1; SMN2
SCHEMBL14624712 0.76 ALDH1A1 (0.60) ALDH1A1RAB9ANPC1POLBSMN1; SMN2
SCHEMBL3764555 0.76 RAB9A (0.60) ALDH1A1RAB9ANPC1POLBSMN1; SMN2
SCHEMBL1770056 0.75 ALDH1A1 (0.59) ALDH1A1RAB9ANPC1POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446120-B2 Peptidomimetic modulators of cell adhesion ADHEREX TECHNOLOGIES, INC. (CA) 2008-11-04 US disclosed
US-20080260829-A1 Bone morphogenic proteins (bmp); cell adhesion modulating agent; peptidomimetics of cyclic peptides comprising classical cadherin cell adhesion recognition (CAR) sequences; modulate cell adhesion and improve drug delivery NEW YORK SOCIETY FOR THE RUPTURED AND CRIPPLED MAINTAINING THE HOSPITAL FOR SPECIAL SURGERY (US) 2008-10-23 US disclosed
US-20080081831-A1 PEPTIDOMIMETIC MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2008-04-03 US disclosed
US-7268115-B2 Cyclic peptides; three-dimensional structures; screening; anticancer agents; angiogenesis inhibitors; drug delivery ADHEREX TECHNOLOGIES, INC. (CA) 2007-09-11 US disclosed
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
CN-1681763-A Chemical compounds ASTRAZENECA AB (SE) 2005-10-12 CN disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 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 (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-20080260829-A1 Bone morphogenic proteins (bmp); cell adhesion modulating agent; peptidomimetics of cyclic peptides comprising classical cadherin cell adhesion recognition (CAR) sequences; modulate cell adhesion and improve drug delivery BMP1, BMP2, BMP4 ALDH1A1 4299/4885RAB9A 248/4885NPC1 2446/4885
US-20080081831-A1 PEPTIDOMIMETIC MODULATORS OF CELL ADHESION CDH1, EPCAM, VCAM1 ALDH1A1 3838/4885RAB9A 2023/4885NPC1 4627/4885

“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.