SCHEMBL2449016

SCHEMBL2449016

O=S1(=O)N=C(Cl)c2c(F)cccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 4/20 0.38
CXCR1 P25024 1/20 0.38
CA12 O43570 3/20 0.34
CA2 P00918 3/20 0.34
CA1 P00915 2/20 0.34
CA9 Q16790 2/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RET P07949 1/20 0.33
GRK5 P34947 1/20 0.33
TYRO3 Q06418 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL4149675 0.81 RET (0.46) CXCR2CXCR1CA12CA2CA1
SCHEMBL11090288 0.78 BACE1 (0.36) CXCR2CXCR1CA12CA2CA1
SCHEMBL10908088 0.78 LMNA (0.41) CXCR2CA12CA2CA1CA9
SCHEMBL10911011 0.78 CA12 (0.33) CXCR2CA12CA2CA1CA9
SCHEMBL4129036 0.74 HSD17B10 (0.48) CXCR2CA2CA1CA9CA7
SCHEMBL13903712 0.74 KCNA3 (0.38) CA12CA2CA1CA9NPC1
SCHEMBL646337 0.74 MAPT (0.34) NPC1RAB9ASENP8SENP7SENP6
SCHEMBL350240 0.72 LMNA (0.39) NPC1ALDH1A1KCNA3
SCHEMBL31568196 0.71 CXCR2 (0.36) CXCR2CXCR1
SCHEMBL2452257 0.70 ALDH1A1 (0.37) CXCR2CXCR1NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117143039-A Benzo five-membered nitrogen ring compound, preparation method and medical application thereof 山东大学 2023-12-01 CN disclosed
US-20140135215-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2014-05-15 US disclosed
US-8629284-B2 Chemical compounds SYNGENTA CROP PROTECTION, LLC (US) 2014-01-14 US disclosed
US-20110218101-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2011-09-08 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 (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-20110218101-A1 CHEMICAL COMPOUNDS CBR3, C3AR1, CCNY CXCR2 277/4885CXCR1 363/4885CA12 2360/4885
US-20140135215-A1 CHEMICAL COMPOUNDS CBR3, CCNY, C3AR1 CXCR2 289/4885CXCR1 360/4885CA12 2330/4885

“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.