SCHEMBL6826937

SCHEMBL6826937

CCCc1c(Cl)cccc1Br

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
TAAR1 Q96RJ0 2/20 0.43
F2RL1 P55085 2/20 0.40
CFTR P13569 2/20 0.39
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
DHFR P00374 1/20 0.37
AKR1B1 P15121 1/20 0.36
F2R P25116 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.35
LMNA P02545 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
SCHEMBL18419803 0.86 MEN1 (0.43) ALDH1A1TAAR1CFTRKDM4ESMN1; SMN2
SCHEMBL9174929 0.84 TAAR1 (0.58) ALDH1A1TAAR1F2RL1CFTRKDM4E
SCHEMBL11462339 0.83 TAAR1 (0.41) ALDH1A1TAAR1KDM4EGAAAKR1B1
Ammonia Solution, Strong SCHEMBL14719474 0.82 TAAR1 (0.56) ALDH1A1TAAR1F2RL1CFTRKDM4E
SCHEMBL27547823 0.81 TAAR1 (0.45) ALDH1A1TAAR1GAAAKR1B1SMN1; SMN2
SCHEMBL3692493 0.79 TAAR1 (0.43) ALDH1A1TAAR1GAAHPGDAKR1B1
SCHEMBL3411130 0.79 TAAR1 (0.43) ALDH1A1TAAR1GAAAKR1B1SMN1; SMN2
SCHEMBL18568047 0.77 TAAR1 (0.45) ALDH1A1TAAR1F2RL1CFTRKDM4E
SCHEMBL11507567 0.77 TAAR1 (0.45) TAAR1F2RL1CFTRHPGDAKR1B1
SCHEMBL533804 0.77 ALDH1A1 (0.46) ALDH1A1KDM4EGAAHPGDDHFR

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
EP-1294677-B1 BENZOPHENONES AND SULFONES AS INHIBITORS OF GLYCINE UPTAKE PFIZER PROD INC (US) 2004-11-03 EP disclosed
EP-1294677-A1 BENZOPHENONES AND SULFONES AS INHIBITORS OF GLYCINE UPTAKE Pfizer Products Inc. (US) 2003-03-26 EP disclosed
US-6506780-B2 Benzophenones and sulfones as inhibitors of glycine uptake PFIZER INC. 2003-01-14 US disclosed
US-20020052401-A1 Benzophenones and sulfones as inhibitors of glycine uptake PFIZER INC. 2002-05-02 US disclosed
WO-2002000602-A1 BENZOPHENONES AND SULFONES AS INHIBITORS OF GLYCINE UPTAKE PFIZER PRODUCTS INC. (US) 2002-01-03 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 (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-20020052401-A1 Benzophenones and sulfones as inhibitors of glycine uptake SLC6A1, SLC6A5, SLC1A2 ALDH1A1 2648/4885TAAR1 669/4885F2RL1 3566/4885

“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.