SCHEMBL7899684

SCHEMBL7899684

CC(C)(C)C(=O)Nc1sc(-c2ccccc2)cc1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 1.00
NPC1 O15118 3/20 1.00
RAB9A P51151 3/20 1.00
NPSR1 Q6W5P4 3/20 1.00
ALDH1A1 P00352 2/20 0.71
HPGD P15428 2/20 0.71
MAPT P10636 2/20 0.66
PTPN5 P54829 1/20 0.66
POLB P06746 1/20 0.61
ABCC1 P33527 2/20 0.60
ERO1A Q96HE7 1/20 0.59
IKBKB O14920 1/20 0.56
JAK2 O60674 1/20 0.56
JAK3 P52333 1/20 0.56
KCNK2 O95069 1/20 0.55
CHEK1 O14757 2/20 0.54
MAP4K4 O95819 1/20 0.54
MEN1 O00255 1/20 0.51
GAA P10253 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL23413408 0.84 NPC1 (0.72) KDM4ENPC1RAB9ANPSR1ALDH1A1
SCHEMBL3494989 0.82 NPC1 (0.70) KDM4ENPC1RAB9ANPSR1ALDH1A1
SCHEMBL6311014 0.81 NPC1 (0.71) KDM4ENPC1RAB9ANPSR1ALDH1A1
SCHEMBL1563740 0.81 IKBKB (0.83) KDM4ENPC1RAB9ANPSR1MAPT
SCHEMBL21259118 0.80 NPC1 (0.67) KDM4ENPC1RAB9ANPSR1ALDH1A1
SCHEMBL23412899 0.79 NPC1 (1.00) KDM4ENPC1RAB9ANPSR1ALDH1A1
SCHEMBL3743125 0.78 NPC1 (0.64) KDM4ENPC1RAB9ANPSR1MAPT
SCHEMBL21247318 0.78 NPC1 (0.71) KDM4ENPC1RAB9ANPSR1ALDH1A1
SCHEMBL1798957 0.77 NPSR1 (0.66) KDM4ENPC1RAB9ANPSR1ALDH1A1
SCHEMBL6310231 0.77 NPC1 (0.67) KDM4ENPC1RAB9ANPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11840527-B2 Non-fused thiophene derivatives and their uses ENYO PHARMA (FR) 2023-12-12 US disclosed
US-20200369655-A1 NON-FUSED THIOPHENE DERIVATIVES AND THEIR USES ENYO PHARMA (FR) 2020-11-26 US disclosed
WO-2019154953-A1 NON-FUSED THIOPHENE DERIVATIVES AND THEIR USES ENYO PHARMA (FR) 2019-08-15 WO disclosed
US-20140275529-A1 SUBUNIT SELECTIVE NMDA RECEPTOR POTENTIATORS FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS TRAYNELIS STEPHEN F (US) 2014-09-18 US disclosed
US-20140275529-A1 SUBUNIT SELECTIVE NMDA RECEPTOR POTENTIATORS FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS TRAYNELIS STEPHEN F (US) 2014-09-18 US disclosed
US-8822462-B2 Subunit selective NMDA receptor potentiators for the treatment of neurological conditions EMORY UNIVERSITY (US) 2014-09-02 US disclosed
US-8822462-B2 Subunit selective NMDA receptor potentiators for the treatment of neurological conditions EMORY UNIVERSITY (US) 2014-09-02 US disclosed
US-20120028977-A1 Subunit Selective NMDA Receptor Potentiators For The Treatment Of Neurological Conditions EMORY UNIVERSITY (US) 2012-02-02 US disclosed
US-20120028977-A1 Subunit Selective NMDA Receptor Potentiators For The Treatment Of Neurological Conditions EMORY UNIVERSITY (US) 2012-02-02 US disclosed
WO-2010088414-A2 SUBUNIT SELECTIVE NMDA RECEPTOR POTENTIATORS FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS EMORY UNIVERSITY (US) 2010-08-05 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 (4 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-20120028977-A1 Subunit Selective NMDA Receptor Potentiators For The Treatment Of Neurological Conditions GRIN1, GRIN2A, GRIN2B KDM4E 3493/4885NPC1 970/4885RAB9A 727/4885
US-20140275529-A1 SUBUNIT SELECTIVE NMDA RECEPTOR POTENTIATORS FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS GRIN1, GRIN2A, GRIN2B KDM4E 3493/4885NPC1 970/4885RAB9A 727/4885
US-20200369655-A1 NON-FUSED THIOPHENE DERIVATIVES AND THEIR USES FTH1, SLC40A1, FECH KDM4E 2484/4885NPC1 320/4885RAB9A 1953/4885
US-11840527-B2 Non-fused thiophene derivatives and their uses FTH1, SLC40A1, FECH KDM4E 2484/4885NPC1 320/4885RAB9A 1953/4885

“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.