SCHEMBL3469412

SCHEMBL3469412

COc1ccc2ccccc2c1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
HCRTR1 O43613 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40

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
SCHEMBL7709361 0.89 MAPT (0.37) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL31398419 0.85 SLC2A1 (0.38) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL19617697 0.85 SLC2A1 (0.38) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL27796343 0.84 MAPT (0.63) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1712822 0.82 CA2 (0.41) MAPTCYP3A4KDM4EHPGDMEN1
SCHEMBL6940112 0.82 TSHR (0.42) MAPTCYP1A2KDM4EHPGDMEN1
SCHEMBL30189106 0.82 TUBB4A (0.43) MAPTCYP1A2KDM4EHPGDALDH1A1
SCHEMBL19617108 0.82 TUBB4A (0.43) MAPTCYP1A2KDM4EHPGDALDH1A1
SCHEMBL31459764 0.82 TUBB4A (0.43) MAPTCYP1A2KDM4EHPGDKMT2A
SCHEMBL19617217 0.82 TUBB4A (0.43) MAPTCYP1A2KDM4EHPGDKMT2A

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
EP-2151428-A1 Process for the preparation of agomelatin Les Laboratoires Servier (FR) 2010-02-10 EP disclosed
US-20040180883-A1 Pharmaceutical compounds with serotonin receptor activity GILMORE JEREMY (GB) 2004-09-16 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-20040180883-A1 Pharmaceutical compounds with serotonin receptor activity HTR1A, HTR5A, HTR1E MAPT 2990/4885CYP1A2 195/4885CYP3A4 266/4885

“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.