SCHEMBL1873751

SCHEMBL1873751

Cc1c(C(N)=O)cccc1C1NCC(O)C1O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 1/20 0.43
▸ FUCA1 P04066 9/20 0.40
▸ GLB1 P16278 2/20 0.38
▸ PARP1 P09874 6/20 0.35
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ HSPA1A P0DMV8 1/20 0.33
▸ HSPA8 P11142 1/20 0.33
▸ CD44 P16070 1/20 0.33
▸ MSN P26038 1/20 0.33
▸ PTPN7 P35236 1/20 0.33
▸ PARP2 Q9UGN5 1/20 0.33

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
SCHEMBL1873749 0.81 GBA1 (0.43) GBA1FUCA1GLB1PARP1
SCHEMBL1861358 0.80 MKNK1 (0.41) GBA1FUCA1
SCHEMBL3267384 0.75 GBA1 (0.37) GBA1FUCA1GLB1
SCHEMBL28793931 0.75 PARP1 (0.49) PARP1HSPA1AHSPA8CD44MSN
SCHEMBL2352475 0.74 CYP11B1 (0.32) PARP1CYP11B1CYP11B2HSPA1AHSPA8
SCHEMBL3809376 0.72 HTR2C (0.59) PARP1PARP2
SCHEMBL457994 0.72 HTR2C (0.42) PARP1
SCHEMBL2346601 0.72 GBA1 (0.41) GBA1FUCA1GLB1
SCHEMBL1861356 0.72 GBA1 (0.43) GBA1FUCA1GLB1
Hydrochloric Acid SCHEMBL27587929 0.71 HTR2C (0.60) PARP1PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110237538-A1 TREATMENT OF LYSOSOMAL STORAGE DISORDERS AND OTHER PROTEOSTATIC DISEASES SUMMIT CORPORATION PLC (GB) 2011-09-29 — — US disclosed
US-20110195929-A1 COMPOUNDS FOR THE TREATMENT OF FLAVIVIRAL INFECTIONS SUMMIT CORPORATION PLC (GB) 2011-08-11 — — US disclosed
EP-2323651-A2 COMPOUNDS FOR THE TREATMENT OF FLAVIVIRAL INFECTIONS Summit Corporation Plc (GB) 2011-05-25 — — EP disclosed
WO-2010049678-A2 TREATMENT OF ENERGY UTILIZATION DISEASES SUMMIT CORPORATION PLC (GB) 2010-05-06 — — WO disclosed
WO-2010029313-A1 ANTIINFECTIVE COMPOUNDS SUMMIT CORPORATION PLC. (GB) 2010-03-18 — — WO disclosed
WO-2010015815-A2 COMPOUNDS FOR THE TREATMENT OF FLAVIVIRAL INFECTIONS SUMMIT CORPORATION PLC (GB) 2010-02-11 — — 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-20110237538-A1 TREATMENT OF LYSOSOMAL STORAGE DISORDERS AND OTHER PROTEOSTATIC DISEASES GAA, MAN2B1, GBA1 GBA1 3/4885FUCA1 17/4885GLB1 33/4885
US-20110195929-A1 COMPOUNDS FOR THE TREATMENT OF FLAVIVIRAL INFECTIONS GPI, GALE, HAVCR2 GBA1 18/4885FUCA1 83/4885GLB1 211/4885

“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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