SCHEMBL3764555

SCHEMBL3764555

Cn1ccnc1SCC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.60
ALDH1A1 P00352 6/20 0.60
NPC1 O15118 5/20 0.60
POLB P06746 3/20 0.60
MAPT P10636 3/20 0.60
KMT2A Q03164 3/20 0.60
HPGD P15428 2/20 0.60
MEN1 O00255 2/20 0.60
TP53 P04637 2/20 0.60
ALOX12 P18054 1/20 0.60
HSD17B10 Q99714 1/20 0.60
SMN1; SMN2 Q16637 4/20 0.58
ALPL P05186 1/20 0.57
ALPG P10696 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
GAA P10253 2/20 0.56
PKM P14618 1/20 0.55
RECQL P46063 1/20 0.55
LMNA P02545 1/20 0.55

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
Hydrochloric Acid SCHEMBL7423557 0.98 RAB9A (0.58) RAB9AALDH1A1NPC1POLBMAPT
SCHEMBL9805593 0.87 ALDH1A1 (0.61) RAB9AALDH1A1NPC1POLBMAPT
SCHEMBL14624712 0.86 ALDH1A1 (0.60) RAB9AALDH1A1NPC1POLBMAPT
SCHEMBL3049323 0.83 ALDH1A1 (0.50) RAB9AALDH1A1NPC1POLBMAPT
SCHEMBL11887704 0.81 RAB9A (0.75) RAB9AALDH1A1NPC1POLBMAPT
SCHEMBL8061016 0.79 ALDH1A1 (0.59) RAB9AALDH1A1NPC1POLBMAPT
SCHEMBL3046103 0.79 SMN1; SMN2 (0.57) RAB9AALDH1A1NPC1POLBMAPT
SCHEMBL10402108 0.78 RAB9A (0.50) RAB9AALDH1A1NPC1POLBMAPT
Hydrochloric Acid SCHEMBL9846868 0.77 ALDH1A1 (0.51) RAB9AALDH1A1NPC1POLBMAPT
SCHEMBL10403280 0.76 MAPT (0.55) RAB9AALDH1A1NPC1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2010-11-25 US disclosed
US-7790747-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2010-09-07 US disclosed
US-20090099205-A1 Chemokine receptor binding compounds GENZYME CORPORATION 2009-04-16 US disclosed
US-6080768-A USEFUL IN THE TREATMENT OF ARTERIAL HYPERTENSION AND HEART FAILURE, RENAL INSUFFICIENCY, PERIPHERAL ARTERIOPATHIES AND CEREBROVASCULAR INSUFFICIENCIES ZAMBON GROUP S.P.A. (IT) 2000-06-27 US disclosed
US-5747513-A HYPOTENSIVE AGENTS, HEART FAILURE AND CEREBROVASCULAR INSUFFICIENCY ZAMBON GROUP, S.P.A. (IT) 1998-05-05 US disclosed
EP-0719252-B1 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON SPA (IT) 1998-02-18 EP disclosed
WO-1995007885-A1 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.P.A. (IT) 1995-03-23 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-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS CCR5, CXCR3, CCL5 RAB9A 2043/4885ALDH1A1 3358/4885NPC1 542/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 RAB9A 2043/4885ALDH1A1 3358/4885NPC1 542/4885

“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.