SCHEMBL5758294

SCHEMBL5758294

C[C@H](Oc1ccc(Br)cc1OC(F)(F)F)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
TSHR P16473 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
SLC6A4 P31645 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
PTGDR2 Q9Y5Y4 6/20 0.40
LMNA P02545 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALPL P05186 2/20 0.39
ABCB11 O95342 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP2C9 P11712 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
HRH4 Q9H3N8 1/20 0.38

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
SCHEMBL5757330 0.86 ALPL (0.41) SLC6A4MAOAMAOBLMNAATM
SCHEMBL23924764 0.82 KMT2A (0.63) KMT2ATSHRHTR2AHTR2CHTR2B
SCHEMBL3007597 0.82 SLC6A4 (0.44) TSHRHTR2CHTR2BSLC6A4MAOA
SCHEMBL22820761 0.80 PTGDR2 (0.46) KMT2ATSHRHTR2AHTR2CHTR2B
SCHEMBL26638117 0.80 PTGDR2 (0.46) KMT2ATSHRHTR2AHTR2CHTR2B
SCHEMBL21057107 0.79 TSHR (0.49) KMT2ATSHRHTR2AHTR2CHTR2B
SCHEMBL21060784 0.79 TSHR (0.49) KMT2ATSHRHTR2AHTR2CHTR2B
SCHEMBL21057104 0.79 TSHR (0.49) KMT2ATSHRHTR2AHTR2CHTR2B
SCHEMBL25329418 0.79 TSHR (0.49) KMT2ATSHRHTR2AHTR2CHTR2B
SCHEMBL25329420 0.79 TSHR (0.49) KMT2ATSHRHTR2AHTR2CHTR2B

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
EP-1663234-A1 PIPERAZINE DERIVATIVES FOR THE TREATMENT OF HIV INFECTIONS Pfizer Limited (GB) 2006-06-07 EP disclosed
US-20050043300-A1 Piperazine derivatives PFIZER INC. 2005-02-24 US disclosed
WO-2005016344-A1 PIPERAZINE DERIVATIVES FOR THE TREATMENT OF HIV INFECTIONS PFIZER LIMITED (GB) 2005-02-24 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-20050043300-A1 Piperazine derivatives CD4, CCR5, RRP15 KMT2A 2921/4885TSHR 3473/4885HTR2A 1183/4885

“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.