SCHEMBL6656867

SCHEMBL6656867

CC(OS(=O)(=O)c1ccc(Br)cc1)c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
CASR P41180 1/20 0.37
HTR6 P50406 1/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 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
SCHEMBL9740708 0.88 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EMAPTCYP1A2
SCHEMBL17184098 0.87 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL15562148 0.77 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL9401933 0.76 CYP2C9 (0.43) ALDH1A1HPGDLMNACYP1A2CYP2C9
SCHEMBL29160649 0.72 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EMAPTCYP1A2
Ammonia Solution, Strong SCHEMBL28352063 0.71 CYP2C9 (0.39) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL18853809 0.71 CA2 (0.45) ALDH1A1HPGDLMNAKDM4EMAPT
SCHEMBL11672371 0.69 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6248166 0.69 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL17128410 0.69 TUBB4A (0.39) ALDH1A1HPGDKDM4EMEN1KMT2A

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-1077940-B1 4-PHENYLPIPERIDINES FOR THE TREATMENT OF PRURITIC DERMATOSES PFIZER (US) 2004-07-14 EP disclosed
US-6610711-B2 4-phenylpiperidines for the treatment of pruritic dermatoses PFIZER INC. 2003-08-26 US disclosed
US-20030078282-A1 Novel 4-phenylpiperidines for the treatment of pruritic dermatoses PFIZER INC. 2003-04-24 US disclosed
EP-1077940-A1 4-PHENYLPIPERIDINES FOR THE TREATMENT OF PRURITIC DERMATOSES PFIZER INC. (US) 2001-02-28 EP disclosed
WO-1999059971-A1 NOVEL 4-PHENYLPIPERIDINES FOR THE TREATMENT OF PRURITIC DERMATOSES PFIZER INC. (US) 1999-11-25 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-20030078282-A1 Novel 4-phenylpiperidines for the treatment of pruritic dermatoses HRH2, HRH4, HRH1 ALDH1A1 857/4885HPGD 865/4885LMNA 4133/4885

“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.