SCHEMBL5111621

SCHEMBL5111621

CCCCC(=O)N(CCCSc1nc2ccccc2[nH]1)CCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.61
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
ALDH1A1 P00352 2/20 0.55
LMNA P02545 6/20 0.54
MAPT P10636 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.48
MAOB P27338 1/20 0.47

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
SCHEMBL5504394 0.86 AR (0.58) ARNPC1RAB9AALDH1A1LMNA
SCHEMBL5114340 0.82 AR (0.60) ARNPC1RAB9AALDH1A1LMNA
SCHEMBL5499298 0.81 AR (0.63) ARNPC1RAB9AALDH1A1LMNA
SCHEMBL5503450 0.76 AR (0.63) ARNPC1RAB9AALDH1A1LMNA
SCHEMBL5503332 0.76 AR (0.63) ARNPC1RAB9AALDH1A1LMNA
SCHEMBL425175 0.75 RAB9A (1.00) ARNPC1RAB9AALDH1A1LMNA
SCHEMBL5534689 0.75 AR (0.52) ARNPC1RAB9AALDH1A1LMNA
SCHEMBL5500813 0.74 AR (0.56) ARNPC1RAB9AALDH1A1LMNA
SCHEMBL2948524 0.74 RAB9A (0.91) ARNPC1RAB9AALDH1A1LMNA
SCHEMBL24550567 0.74 KMT2A (0.63) NPC1RAB9AALDH1A1MAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273740-B2 antiallergen; not direct way to change nature of immunological response to allergen; G-protein-coupled \"chemoattractant receptor-homologous molecule expressed on Th2 cells (CRTH2)\" antagonist for prostaglandin PGD2, that mediates PGD2-dependent migration of blood Th2 cells; ; asthma, rhinitis, COPD ACTELION PHARMACEUTICALS, LTD. (CH) 2012-09-25 US disclosed
US-20080108638-A1 2-Sulfanyl-Benzoimidazol-1-Yl-Acetic Acid Derivatives as Crth2 Antagonists ACTELION PHARMACEUTICALS,LTD. (CH) 2008-05-08 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080108638-A1 2-Sulfanyl-Benzoimidazol-1-Yl-Acetic Acid Derivatives as Crth2 Antagonists HRH2, HRH1, HRH3 AR 528/4885NPC1 4454/4885RAB9A 2656/4885

“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.