SCHEMBL178339

SCHEMBL178339

CCC1CCC(F)(F)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.31
ALOX12 P18054 1/20 0.31
APLNR P35414 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
SCHEMBL21779737 0.91 KDM4E (0.37) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL765004 0.84
SCHEMBL1962749 0.84
SCHEMBL14137797 0.81 KDM4E (0.41) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL19982905 0.81 KDM4E (0.41) KDM4EALDH1A1GAAHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL28794792 0.80 APLNR (0.36) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL26259604 0.79 KDM4E (0.39) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL178385 0.79 CYP1A2 (0.36) ALDH1A1
SCHEMBL25792748 0.79 KDM4E (0.39) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL22874879 0.79 PARP1 (0.34) KDM4EALDH1A1GAAHPGDSMN1; SMN2

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 161 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1865940-A2 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Applera Corporation (US) 2007-12-19 EP claimed
WO-2006102243-A2 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS APPLERA CORPORATION (US) 2006-09-28 WO claimed
WO-2024039829-A1 INHIBITORS OF KIF18A AND USES THEREOF ACCENT THERAPEUTICS, INC. (US) 2024-02-22 WO disclosed
US-20240025860-A1 SARS-COV-2 INHIBITORS FOR TREATING CORONAVIRUS INFECTIONS INSILICO MEDICINE IP LIMITED (HK) 2024-01-25 US disclosed
US-20230399308-A1 2,6-DISUBSTITUTED PYRIDINE DERIVATIVE Sumitomo Pharma Co., Ltd. (JP) 2023-12-14 US disclosed
US-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-11-09 US disclosed
US-11787785-B2 Pyrazolopyridine derivatives and uses thereof NOVARTIS AG (CH) 2023-10-17 US disclosed
US-11780820-B2 2,6-disubstituted pyridine derivative Sumitomo Pharma Co., Ltd. (JP) 2023-10-10 US disclosed
US-11780844-B2 Compounds and methods for treatment of viral infections GILEAD SCIENCES, INC. (US) 2023-10-10 US disclosed
US-20230312564-A1 AROMATIC RING-LACTAM COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI RINGENE BIOPHARMA CO., LTD. (CN) 2023-10-05 US disclosed
WO-2023187182-A1 PYRAZOLOPYRAZINONE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2023-10-05 WO disclosed
US-7531546-B2 Spiro-substituted pyrrolo[2,3-D]pyrimidines as cathepsin inhibitors NOVARTIS AG (CH) 2009-05-12 US disclosed
US-7531546-B2 Spiro-substituted pyrrolo[2,3-D]pyrimidines as cathepsin inhibitors NOVARTIS AG (CH) 2009-05-12 US disclosed
US-7528148-B2 Pyrazolo[3,4-B]pyridine compounds, and their use as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2009-05-05 US disclosed
WO-2008032164-A2 BENZIMIDAZOLONE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-03-20 WO disclosed
EP-1592426-B1 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2007-12-19 EP disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070072853-A1 Benzimidazole derivatives compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2007-03-29 US disclosed
WO-2004076455-A1 SPIRO-SUBSTITUTED PYRROLOPYRIMIDINES NOVARTIS AG (CH) 2004-09-10 WO disclosed
WO-2004069256-A1 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2004-08-19 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 (9 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-11780844-B2 Compounds and methods for treatment of viral infections HAVCR2, EIF2AK2, OAT KDM4E 3874/4885ALDH1A1 1784/4885GAA 82/4885
US-20230312564-A1 AROMATIC RING-LACTAM COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF WEE1, WEE2, WASF2 KDM4E 2100/4885ALDH1A1 2123/4885GAA 2559/4885
US-11787785-B2 Pyrazolopyridine derivatives and uses thereof HBZ, ZFX, WIZ KDM4E 2746/4885ALDH1A1 1243/4885GAA 1170/4885
US-20070072853-A1 Benzimidazole derivatives compositions containing them, preparation thereof and uses thereof RB1, CYP2C19, ADRB3 KDM4E 2030/4885ALDH1A1 165/4885GAA 1933/4885
US-20230399308-A1 2,6-DISUBSTITUTED PYRIDINE DERIVATIVE CNR1, CNR2, CRHR1 KDM4E 2092/4885ALDH1A1 267/4885GAA 4733/4885
US-20240025860-A1 SARS-COV-2 INHIBITORS FOR TREATING CORONAVIRUS INFECTIONS ACE2, ACE, SARS1 KDM4E 3320/4885ALDH1A1 2946/4885GAA 818/4885
US-11780820-B2 2,6-disubstituted pyridine derivative CNR1, CNR2, CRHR1 KDM4E 2092/4885ALDH1A1 267/4885GAA 4733/4885
US-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF KDM4E 1816/4885ALDH1A1 2049/4885GAA 2243/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 KDM4E 2058/4885ALDH1A1 1806/4885GAA 352/4885

“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.