SCHEMBL21584536

SCHEMBL21584536

CCc1cc2cc(Br)cc(C)n2n1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.32
PDE3A Q14432 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL25417355 0.77 NPC1 (0.38) PDE4BNPC1RAB9A
SCHEMBL28445687 0.73 PDE4B (0.38) PDE4BPDE3A
SCHEMBL21584712 0.69 NPC1 (0.36) NPC1RAB9A
SCHEMBL29723754 0.68 AHR (0.36)
SCHEMBL15807120 0.66 PIK3CG (0.58) NPC1RAB9A
SCHEMBL21584715 0.65 GAA (0.35)
SCHEMBL24529390 0.64 NPC1 (0.33) NPC1RAB9A
SCHEMBL21584829 0.63 PIK3CG (0.39) NPC1RAB9A
SCHEMBL21584702 0.63
SCHEMBL21584826 0.63 NPC1 (0.40) PDE4BPDE3ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111801328-B Autotaxin inhibitors and uses thereof 四川海思科制药有限公司 2023-06-02 CN disclosed
US-11040972-B2 Autotaxin inhibitors and uses thereof SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2021-06-22 US disclosed
US-20200354357-A1 AUTOTAXIN INHIBITORS AND USES THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2020-11-12 US disclosed
CN-111801328-A Autotaxin inhibitors and uses thereof 弗朗塞拉美国制药有限责任公司 2020-10-20 CN disclosed
US-10711000-B2 Autotaxin inhibitors and uses thereof FRONTHERA U.S. PHARMACEUTICALS LLC (US) 2020-07-14 US disclosed
WO-2019228403-A1 AUTOTAXIN INHIBITORS AND USES THEREOF FRONTHERA U.S. PHARMACEUTICALS LLC (US) 2019-12-05 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 (3 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-10711000-B2 Autotaxin inhibitors and uses thereof ENPP2, SERPINB1, RNASE1 PDE4B 2208/4885PDE3A 2448/4885NPC1 2850/4885
US-11040972-B2 Autotaxin inhibitors and uses thereof ENPP2, SERPINB1, RNASE1 PDE4B 2208/4885PDE3A 2448/4885NPC1 2850/4885
US-20200354357-A1 AUTOTAXIN INHIBITORS AND USES THEREOF ENPP2, SERPINB1, RNASE1 PDE4B 2208/4885PDE3A 2448/4885NPC1 2850/4885

“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.