SCHEMBL29408191

SCHEMBL29408191

Cc1nc(-c2ccc(OC(F)F)cc2)ncc1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
KDM4E B2RXH2 1/20 0.65
XDH P47989 2/20 0.53
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
PTGER4 P35408 1/20 0.43
HDAC4 P56524 2/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 2/20 0.41
TEAD4 Q15561 1/20 0.41
ALKBH1 Q13686 1/20 0.41
LMNA P02545 2/20 0.40
HSD17B10 Q99714 1/20 0.40
POLQ O75417 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL22678610 1.00 ALDH1A1 (0.65) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL22712499 0.88 ALDH1A1 (0.67) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL22658054 0.85 NPC1 (0.56) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4384415 0.80 SMN1; SMN2 (0.63) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL28581423 0.80 ALDH1A1 (0.60) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL29409952 0.79 XDH (0.56) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL22658090 0.79 XDH (0.56) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL22658073 0.79 HDAC4 (0.50) ALDH1A1KDM4EXDHMEN1KMT2A
SCHEMBL403150 0.78 ALDH1A1 (0.63) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL28699403 0.78 XDH (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260022123-A1 Methods of Making Modified BTK Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2026-01-22 US disclosed
US-12441689-B2 ACSS2 inhibitors and methods of use thereof EPIVARIO, INC. (US) 2025-10-14 US disclosed
EP-4626554-A1 GLUTARIMIDE-CONTAINING KRAS-MUTANT DEGRADER COMPOUNDS AND USES THEREOF Tiger Biotherapeutics Inc. (US) 2025-10-08 EP disclosed
WO-2025066915-A1 AHR MODULATOR AND USE THEREOF 德明药泰生物技术(深圳)有限公司 2025-04-03 WO disclosed
CN-119707643-A AhR regulator and application thereof 德明药泰生物技术(深圳)有限公司 2025-03-28 CN disclosed
CN-119343340-A Methods of preparing modified BTK inhibitors 普林斯匹亚生物制药公司 2025-01-21 CN disclosed
US-12168058-B2 Glutarimide-containing KRAS-mutant degrader compounds and uses thereof Tiger Biotherapeutics, Inc. (US) 2024-12-17 US disclosed
US-20240216516-A1 GLUTARIMIDE-CONTAINING KRAS-MUTANT DEGRADER COMPOUNDS AND USES THEREOF TIGER BIOTHERAPEUTICS INC. 2024-07-04 US disclosed
WO-2024118960-A1 GLUTARIMIDE-CONTAINING KRAS-MUTANT DEGRADER COMPOUNDS AND USES THEREOF TIGER BIOTHERAPEUTICS INC. (US) 2024-06-06 WO disclosed
CN-115960074-A Fluorine-containing ferroelectric liquid crystal molecules containing heteroatom hexatomic alicyclic ring and synthesis method thereof 华南理工大学 2023-04-14 CN disclosed
US-20230084752-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD. (IL) 2023-03-16 US disclosed
CN-114127049-A ACSS2 inhibitors and methods of use thereof 美特波米德有限公司 2022-03-01 CN 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 (5 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-20240216516-A1 GLUTARIMIDE-CONTAINING KRAS-MUTANT DEGRADER COMPOUNDS AND USES THEREOF KRAS, VHL, HRAS ALDH1A1 1085/4885NPC1 3240/4885RAB9A 129/4885
US-20260022123-A1 Methods of Making Modified BTK Inhibitors BTK, TEC, SYK ALDH1A1 3979/4885NPC1 3009/4885RAB9A 731/4885
US-20230084752-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF ACSS2, ADSS2, GLS2 ALDH1A1 347/4885NPC1 3336/4885RAB9A 2607/4885
US-12168058-B2 Glutarimide-containing KRAS-mutant degrader compounds and uses thereof KRAS, VHL, HRAS ALDH1A1 1085/4885NPC1 3240/4885RAB9A 129/4885
US-12441689-B2 ACSS2 inhibitors and methods of use thereof ACSS2, ADSS2, GLS2 ALDH1A1 347/4885NPC1 3336/4885RAB9A 2607/4885

“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.