SCHEMBL5599540

SCHEMBL5599540

CCN(CC)c1ccc2cc(C(=O)O)oc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.68
KDM4E B2RXH2 6/20 0.68
HPGD P15428 4/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
HSD17B10 Q99714 2/20 0.68
SLC16A3 O15427 1/20 0.68
ALOX15 P16050 1/20 0.68
SLC16A1 P53985 1/20 0.68
KMT2A Q03164 9/20 0.63
MAPT P10636 8/20 0.63
MEN1 O00255 8/20 0.63
ATM Q13315 4/20 0.63
GAA P10253 1/20 0.61
MAOB P27338 3/20 0.60
USP2 O75604 3/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2C19 P33261 1/20 0.60
CYP19A1 P11511 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.59
GLA P06280 1/20 0.59

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
SCHEMBL11860823 0.88 KMT2A (0.71) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL5600184 0.88 TP53 (0.55) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL22601122 0.87 SLC16A3 (0.53) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL22601117 0.86 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL11863208 0.85 MAPT (0.60) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL10613822 0.85 MAOB (0.72) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL9653525 0.84 KMT2A (0.59) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL9612784 0.83 MAOB (0.71) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL22587972 0.83 SLC16A3 (0.66) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL29775307 0.81 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100413882-C Linear basic compounds having NK-2 antagonistic activity and formulations thereof MENARINI RICERCHE SPA (IT) 2008-08-27 CN claimed
CN-1578786-A Linear basic compounds having NK-2 antagonistic activity and formulations thereof MENARINI RICERCHE SPA (IT) 2005-02-09 CN claimed
US-20040259930-A1 Linear basic compounds having nk-2 antagonist activity and formulations thereof MALESCI INSTITUTO FARMACOBIOLOGICO S.P.A. (IT) 2004-12-23 US claimed
US-12357603-B2 Acyl sulfonamides for treating cancer BAYER AKTIENGESELLSCHAFT (DE) 2025-07-15 US disclosed
EP-3959202-B1 ACYL SULFONAMIDES FOR TREATING CANCER BAYER AG (DE) 2023-08-16 EP disclosed
EP-3959202-B1 ACYL SULFONAMIDES FOR TREATING CANCER BAYER AG (DE) 2023-08-16 EP disclosed
US-20220226279-A1 ACYL SULFONAMIDES FOR TREATING CANCER THE BROAD INSTITUTE, INC. 2022-07-21 US disclosed
CN-114072394-A Acylsulfonamides for the treatment of cancer 拜耳股份公司 2022-02-18 CN disclosed
WO-2020216701-A1 ACYL SULFONAMIDES FOR TREATING CANCER BAYER AKTIENGESELLSCHAFT (DE) 2020-10-29 WO disclosed
WO-2020216701-A1 ACYL SULFONAMIDES FOR TREATING CANCER BAYER AKTIENGESELLSCHAFT (DE) 2020-10-29 WO disclosed
CN-100413882-C Linear basic compounds having NK-2 antagonistic activity and formulations thereof MENARINI RICERCHE SPA (IT) 2008-08-27 CN disclosed
US-7273856-B2 Linear basic compounds having NK-2 antagonist activity and formulations thereof MENARINI RICERCHE S.P.A. (IT) 2007-09-25 US disclosed
EP-1442050-B1 LINEAR BASIC COMPOUNDS HAVING NK-2 ANTAGONIST ACTIVITY AND FORMULATIONS THEREOF MALESCI SAS (IT) 2006-09-13 EP disclosed
CN-1578786-A Linear basic compounds having NK-2 antagonistic activity and formulations thereof MENARINI RICERCHE SPA (IT) 2005-02-09 CN disclosed
US-20040259930-A1 Linear basic compounds having nk-2 antagonist activity and formulations thereof MALESCI INSTITUTO FARMACOBIOLOGICO S.P.A. (IT) 2004-12-23 US disclosed
US-3932446-A Quaternized 6-diethylamino-2-[benzimidazolyl-(2)]benzofuran BASF AKTIENGESELLSCHAFT (DT) 1976-01-13 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 (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-20220226279-A1 ACYL SULFONAMIDES FOR TREATING CANCER KAT6A, KAT6B, KAT2A ALDH1A1 1645/4885KDM4E 461/4885HPGD 3400/4885
US-12357603-B2 Acyl sulfonamides for treating cancer KAT6A, KAT6B, KAT2A ALDH1A1 1645/4885KDM4E 461/4885HPGD 3400/4885
US-20040259930-A1 Linear basic compounds having nk-2 antagonist activity and formulations thereof BDKRB2, BDKRB1, TACR2 ALDH1A1 2231/4885KDM4E 3285/4885HPGD 1312/4885

“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.