SCHEMBL2889833

SCHEMBL2889833

COc1cc(C(=O)Nc2c(Cl)c(F)nc(F)c2Cl)ccc1OC(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
POLB P06746 3/20 0.56
TDP1 Q9NUW8 1/20 0.56
PDE4D Q08499 6/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
PDE4B Q07343 4/20 0.49
ABCB11 O95342 1/20 0.49
PDE4A P27815 1/20 0.49
PDE4C Q08493 1/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
PKM P14618 2/20 0.48
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
CYP1A2 P05177 1/20 0.46

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
SCHEMBL29824456 1.00 NPC1 (0.56) NPC1RAB9APOLBTDP1PDE4D
SCHEMBL2888147 0.95 PDE4D (0.54) NPC1RAB9APOLBTDP1PDE4D
SCHEMBL30084850 0.95 PDE4D (0.54) NPC1RAB9APOLBTDP1PDE4D
SCHEMBL29824721 0.95 NPC1 (0.53) NPC1RAB9APOLBTDP1PDE4D
SCHEMBL2888544 0.95 NPC1 (0.53) NPC1RAB9APOLBTDP1PDE4D
SCHEMBL2887441 0.88 NPC1 (0.58) NPC1RAB9APOLBTDP1PDE4D
SCHEMBL29824340 0.88 NPC1 (0.58) NPC1RAB9APOLBTDP1PDE4D
SCHEMBL30084836 0.83 PDE4D (0.80) PDE4DPDE4BABCB11PDE4APDE4C
SCHEMBL7534706 0.83 PDE4D (0.80) PDE4DPDE4BABCB11PDE4APDE4C
SCHEMBL2889399 0.82 PDE4D (0.64) NPC1RAB9APOLBTDP1PDE4D

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-20240316015-A1 COMPOSITION AND METHOD FOR TREATING TUMORS NATURAL MEDICINE INSTITUTE OF ZHEJIANG YANGSHENGTANG CO., LTD. (CN) 2024-09-26 US disclosed
EP-4282413-A1 COMPOSITION AND METHOD FOR TREATING TUMORS NATURAL MEDICINE INSTITUTE OF ZHEJIANG YANGSHENGTANG CO., LTD. (CN) 2023-11-29 EP disclosed
CN-116963773-A Compositions and methods for treating tumors 浙江养生堂天然药物研究所有限公司 2023-10-27 CN disclosed
CN-115397411-A Pharmaceutical combination and use thereof 浙江养生堂天然药物研究所有限公司 2022-11-25 CN disclosed
WO-2021213455-A1 DRUG COMBINATION AND USE THEREOF 浙江养生堂天然药物研究所有限公司 (CN) 2021-10-28 WO disclosed
US-7776893-B2 Use of PDE4 inhibitors for the treatment of diabetes mellitus NYCOMED GMBH (DE) 2010-08-17 US disclosed
EP-0706513-B1 FLUOROALKOXY-SUBSTITUTED BENZAMIDES AND THEIR USE AS CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS BYK GULDEN LOMBERG CHEM FAB (DE) 2002-05-15 EP disclosed
US-5712298-A Fluoroalkoxy-substituted benzamides and their use as cyclic nucleotide phosphodiesterase inhibitors BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-01-27 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-20240316015-A1 COMPOSITION AND METHOD FOR TREATING TUMORS PDE4B, PDE4A, PDE4C NPC1 4322/4885RAB9A 2882/4885POLB 449/4885

“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.