SCHEMBL3552983

SCHEMBL3552983

COC(=O)[C@H]1CCN1C(=S)c1cc(OC)cc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADCY8 P40145 3/20 0.42
ADCY1 Q08828 3/20 0.42
PDK2 Q15119 1/20 0.41
HCRTR1 O43613 2/20 0.40
HCRTR2 O43614 2/20 0.40
RHOA P61586 1/20 0.40
USP2 O75604 2/20 0.39
CYP3A4 P08684 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CNR1 P21554 1/20 0.39
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2C9 P11712 1/20 0.38
EPHX2 P34913 1/20 0.38
PHGDH O43175 1/20 0.38
FKBP1A P62942 1/20 0.37

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
SCHEMBL3552980 1.00 ADCY8 (0.42) ADCY8ADCY1PDK2HCRTR1HCRTR2
SCHEMBL3545842 0.93 HCRTR1 (0.46) ADCY8ADCY1PDK2HCRTR1HCRTR2
SCHEMBL3545845 0.93 HCRTR1 (0.46) ADCY8ADCY1PDK2HCRTR1HCRTR2
SCHEMBL3544517 0.92 PDK2 (0.44) PDK2HCRTR1HCRTR2RHOAUSP2
SCHEMBL5271173 0.92 PDK2 (0.44) PDK2HCRTR1HCRTR2RHOAUSP2
SCHEMBL3544857 0.89 HCRTR1 (0.41) ADCY8ADCY1HCRTR1HCRTR2RHOA
SCHEMBL3544853 0.89 HCRTR1 (0.41) ADCY8ADCY1HCRTR1HCRTR2RHOA
SCHEMBL3547423 0.83 LMNA (0.47) PDK2PHGDH
SCHEMBL3547425 0.83 LMNA (0.47) PDK2PHGDH
SCHEMBL3543791 0.83 HCRTR1 (0.46) ADCY8ADCY1HCRTR1HCRTR2RHOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691843-B2 N-hydroxyamide derivatives possessing antibacterial activity PFIZER INC. (US) 2010-04-06 US disclosed
US-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity VICURON HOLDINGS LLC 2008-03-06 US 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-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity AMDHD2, OGA, ENGASE ADCY8 1481/4885ADCY1 2964/4885PDK2 2445/4885

“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.