SCHEMBL3102987

SCHEMBL3102987

Fc1ccc(Cc2ccsc2C2CNC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.36
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
CHRNA4 P43681 2/20 0.36
HTR2C P28335 2/20 0.34
HTR2A P28223 1/20 0.34
HTR2B P41595 1/20 0.34
MAPT P10636 2/20 0.33
HCAR2 Q8TDS4 1/20 0.33
PTGS1 P23219 1/20 0.33
HPGD P15428 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
SLC6A4 P31645 2/20 0.32
MPO P05164 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL8305833 0.73 PTGS1 (0.38) MAPTHCAR2PTGS1HPGDALDH1A1
SCHEMBL8304165 0.69 MAPT (0.40) MAPTPTGS1HPGDALDH1A1LMNA
SCHEMBL28468260 0.69 PTGS1 (0.38) MAPTHCAR2PTGS1HPGDALDH1A1
SCHEMBL765509 0.65 MEN1 (0.43) MAPTPTGS1ALDH1A1RAB9AL3MBTL1
SCHEMBL755262 0.64 KMT2A (0.46) PTGS1HPGDALDH1A1LMNAGAA
SCHEMBL17123793 0.63 CHRNB4 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4HTR2C
SCHEMBL17296085 0.63 SLC6A2 (0.41) SLC6A4SLC6A2SLC6A3
SCHEMBL24938229 0.62 TAAR1 (0.40) MAPTHCAR2PTGS1HPGDALDH1A1
Hydrochloric Acid SCHEMBL796223 0.62 CHRNB4 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4HTR2C
SCHEMBL8309201 0.62 IDO1 (0.42) MAPTHCAR2PTGS1HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100274003-A1 ACID ADDITION SALTS OF SYNTHETIC INTERMEDIATES FOR CARBAPENEM ANTIBIOTICS AND PROCESSES FOR PREPARING THE SAME Kukje Pharm Ind co. Ltd (KR) 2010-10-28 US disclosed
EP-2188287-A2 ACID ADDITION SALTS OF SYNTHETIC INTERMEDIATES FOR CARBAPENEM ANTIBIOTICS AND PROCESSES FOR PREPARING THE SAME Kukje Pharm. Ind. Co., Ltd. (KR) 2010-05-26 EP disclosed
WO-2009038328-A2 ACID ADDITION SALTS OF SYNTHETIC INTERMEDIATES FOR CARBAPENEM ANTIBIOTICS AND PROCESSES FOR PREPARING THE SAME KUKJE PHARM. IND. CO., LTD. (KR) 2009-03-26 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 (1 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-20100274003-A1 ACID ADDITION SALTS OF SYNTHETIC INTERMEDIATES FOR CARBAPENEM ANTIBIOTICS AND PROCESSES FOR PREPARING THE SAME SLC7A5, SI, ADSL CHRNB2 4813/4885CHRNB4 4715/4885CHRNA3 4795/4885

“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.