SCHEMBL4001775

SCHEMBL4001775

CC(C)(C)CCC(C)(C(=O)O)c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ XBP1 P17861 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KCNN4 O15554 3/20 0.40
▸ HPGD P15428 1/20 0.39
▸ SSTR3 P32745 1/20 0.39
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CTSL P07711 1/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ SLC22A12 Q96S37 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ ESR1 P03372 1/20 0.35

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
SCHEMBL3996786 1.00 MEN1 (0.41) MEN1KMT2ASMN1; SMN2NPC1MAPT
SCHEMBL4000723 1.00 MEN1 (0.41) MEN1KMT2ASMN1; SMN2NPC1MAPT
SCHEMBL3997270 0.84 SMN1; SMN2 (0.40) MEN1KMT2ASMN1; SMN2NPC1MAPT
SCHEMBL3999987 0.84 SMN1; SMN2 (0.40) MEN1KMT2ASMN1; SMN2NPC1MAPT
SCHEMBL3961232 0.83 CYP2C19 (0.47) KMT2AMAPTKCNN4LMNAALDH1A1
SCHEMBL4006608 0.83 CYP2C19 (0.47) KMT2AMAPTKCNN4LMNAALDH1A1
SCHEMBL4005860 0.83 CYP2C19 (0.47) KMT2AMAPTKCNN4LMNAALDH1A1
SCHEMBL15109990 0.81 MEN1 (0.43) MEN1KMT2ASMN1; SMN2NPC1MAPT
SCHEMBL5794046 0.81 KDM4E (0.44) MEN1KMT2ASMN1; SMN2NPC1MAPT
SCHEMBL22164298 0.81 KCNN4 (0.47) MEN1KMT2ASMN1; SMN2NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538105-B2 Anti-infective agents ABBOTT LABORATORIES (US) 2009-05-26 — — US disclosed
US-20080193413-A1 Anti-Infective Agents ABBOTT LABORATORIES (US) 2008-08-14 — — US disclosed
US-7378414-B2 Viricides for infections caused by an RNA-containing virus; enzyme inhibitors for a hepatitis C virus (HCV) polymerase; inhibiting HCV viral replication; liver cirrhosis; e. g., 3-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1,1-dipropyl-2(1H)-naphthalenone ABBOTT LABORATORIES (US) 2008-05-27 — — US disclosed
US-20050107364-A1 Viricides for infections caused by an RNA-containing virus; enzyme inhibitors for a hepatitis C virus (HCV) polymerase; inhibiting HCV viral replication; liver cirrhosis; e. g., 3-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1,1-dipropyl-2(1H)-naphthalenone ABBVIE INC. 2005-05-19 — — US disclosed
WO-2005019191-A2 1, 1-DIOXIDO-4H-1,2,4-BENZOTHIADIAZINE DERIVATE UND VERWANDTE VERBINDUNGEN ALS INHIBITOREN DER HCV POLYMERASE ZUR BEHANDLUNG VON HEPATITIS C ABBOTT LABORATORIES (US) 2005-03-03 — — 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 (2 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-20080193413-A1 Anti-Infective Agents POLI, RPL5, POLRMT MEN1 4787/4885KMT2A 4638/4885SMN1; SMN2 4453/4885
US-20050107364-A1 Viricides for infections caused by an RNA-containing virus; enzyme inhibitors for a hepatitis C virus (HCV) polymerase; inhibiting HCV viral replication; liver cirrhosis; e. g., 3-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1,1-dipropyl-2(1H)-naphthalenone POLRMT, RNASE1, RNGTT MEN1 4794/4885KMT2A 3557/4885SMN1; SMN2 3696/4885

“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.

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