SCHEMBL232185

SCHEMBL232185

COC(=O)c1cc(NC(=O)c2cc(Br)ccn2)cs1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.49
▸ CTPS1 P17812 1/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GRM4 Q14833 5/20 0.42
▸ RAB9A P51151 4/20 0.41
▸ PTPN1 P18031 1/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ ABL1 P00519 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL233471 0.85 GRM5 (0.49) GRM5CTPS1SMN1; SMN2KDM4EGRM4
SCHEMBL231811 0.84 ALDH1A1 (0.54) GRM5SMN1; SMN2KDM4EALDH1A1RAB9A
SCHEMBL106793 0.76 ALDH1A1 (0.61) GRM5SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL29735357 0.76 ALDH1A1 (0.61) GRM5SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL15238558 0.74 KDM4E (0.59) GRM5SMN1; SMN2KDM4EALDH1A1GRM4
SCHEMBL230744 0.73 MAP3K5 (0.57) —
SCHEMBL15238517 0.71 NPC1 (0.59) GRM5SMN1; SMN2KDM4EALDH1A1RAB9A
SCHEMBL1529765 0.71 CES2 (0.59) CTPS1SMN1; SMN2KDM4EALDH1A1RAB9A
SCHEMBL14809955 0.70 KDM4E (0.61) GRM5SMN1; SMN2KDM4EALDH1A1
SCHEMBL13188319 0.70 KDM4E (0.66) GRM5SMN1; SMN2KDM4EALDH1A1RAB9A

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-RE48150-E1 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2020-08-11 — — US disclosed
EP-2588475-B1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES INC (US) 2015-05-20 — — EP disclosed
US-8927582-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2015-01-06 — — US disclosed
US-20130203819-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2013-08-08 — — US disclosed
US-8440665-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2013-05-14 — — US disclosed
EP-2588475-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS Gilead Sciences, Inc. (US) 2013-05-08 — — EP disclosed
US-20120004267-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2012-01-05 — — US disclosed
WO-2012003387-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2012-01-05 — — 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-20130203819-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS AIFM1, MAP3K1, RIPK3 GRM5 3196/4885CTPS1 3634/4885SMN1; SMN2 1776/4885
US-20120004267-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS AIFM1, MAP3K1, RIPK3 GRM5 3196/4885CTPS1 3634/4885SMN1; SMN2 1776/4885

“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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