SCHEMBL14555899

SCHEMBL14555899

CC(C)c1ncccc1-c1cccc(S(N)(=O)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 1/20 0.49
▸ CHUK O15111 1/20 0.49
▸ CA1 P00915 9/20 0.47
▸ CA2 P00918 9/20 0.47
▸ CA9 Q16790 8/20 0.47
▸ CA13 Q8N1Q1 2/20 0.47
▸ MAOB P27338 3/20 0.46
▸ MAOA P21397 2/20 0.46
▸ PTGES2 Q9H7Z7 1/20 0.46
▸ LRRK2 Q5S007 1/20 0.45
▸ BRD4 O60885 1/20 0.45
▸ CA12 O43570 5/20 0.45
▸ PIK3CD O00329 1/20 0.44
▸ ABL1 P00519 1/20 0.44
▸ EGFR P00533 1/20 0.44
▸ HCK P08631 1/20 0.44
▸ SRC P12931 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ PIK3CA P42336 1/20 0.44
▸ PIK3CB P42338 1/20 0.44

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
SCHEMBL15723885 0.87 CYP2C9 (0.49) —
SCHEMBL14555429 0.84 CA2 (0.60) IKBKBCHUKCA1CA2CA9
SCHEMBL15730257 0.84 IKBKB (0.52) IKBKBCHUKCA1CA2CA9
SCHEMBL20371563 0.82 PIK3CD (0.46) IKBKBCHUKCA1CA2CA9
SCHEMBL20371424 0.78 BRD4 (0.53) BRD4PIK3CDPIK3CAPIK3CBMTOR
SCHEMBL15723895 0.75 BCHE (0.44) LRRK2ABL1KDR
SCHEMBL18853950 0.74 PRKCI (0.50) ABL1EGFRKDR
SCHEMBL15723925 0.74 MAP4K4 (0.50) MAOB
SCHEMBL13561350 0.74 IKBKB (0.43) IKBKBCHUKCA1CA2CA9
SCHEMBL19309232 0.73 PIK3CD (0.48) CA1CA2CA9CA13CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 — — US disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 — — US disclosed
US-10370358-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2019-08-06 — — US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 — — US disclosed
WO-2013006738-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2013-01-10 — — 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 (4 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-10370358-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN IKBKB 1454/4885CHUK 1089/4885CA1 4199/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN IKBKB 1454/4885CHUK 1089/4885CA1 4199/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN IKBKB 1454/4885CHUK 1089/4885CA1 4199/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN IKBKB 1454/4885CHUK 1089/4885CA1 4199/4885

“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.

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