SCHEMBL6602441

SCHEMBL6602441

O=C1CCCc2cc(S(=O)(=O)C(F)(F)F)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.50
MAOA P21397 12/20 0.50
PRKCI P41743 1/20 0.50
HSD17B1 P14061 1/20 0.45
MAPK1 P28482 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2A6 P11509 1/20 0.43
GRM5 P41594 1/20 0.43
BAZ2B Q9UIF8 1/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL20638456 0.79 CA1 (0.66) MAOBMAOAPRKCIHSD17B1CYP2A6
SCHEMBL29649370 0.79 CA1 (0.66) MAOBMAOAPRKCIHSD17B1CYP2A6
SCHEMBL8870208 0.78 PBRM1 (0.47) MAOBMAPK1LMNAHTTSMN1; SMN2
SCHEMBL315565 0.77 MAOB (0.55) MAOBMAOAPRKCIHSD17B1GRM5
SCHEMBL316166 0.75 GRM5 (0.54) MAOBMAOAPRKCIHSD17B1LMNA
SCHEMBL17361761 0.74 MAOA (0.56) MAOBMAOAPRKCIHSD17B1LMNA
SCHEMBL1471642 0.74 MAOB (0.55) MAOBMAOAPRKCIHSD17B1GRM5
SCHEMBL3093600 0.74 HTR2C (0.56) MAOBMAOA
SCHEMBL5109850 0.73 MAOB (0.62) MAOBMAOAPRKCIHSD17B1MAPK1
SCHEMBL29758928 0.73 MAOB (0.58) MAOBMAOAPRKCIHSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1110961-B1 OXYGENIC HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO KK (JP) 2004-07-14 EP disclosed
US-6376535-B2 PHOSPHODIESTERASE (PDE) INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-04-23 US disclosed
US-20010056117-A1 Oxygen-containing heterocyclic compounds KYOWA HAKKO KIRIN CO., LTD. (JP) 2001-12-27 US disclosed
EP-0968168-B1 AROMATIC TETRACYCLIC COMPOUNDS OF THE RETINOID TYPE, METHOD FOR PREPARING AND USE CT EUROP DE BIOPROSPECTIVE CEB (FR) 2001-08-29 EP disclosed
EP-1110961-A1 OXYGENIC HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-06-27 EP disclosed
US-6239284-B1 SKIN DISORDERS; ANTICANCER AGENTS CENTRE EUROPEEN DE BIOPROSPECTIVE-CEB (FR) 2001-05-29 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-20010056117-A1 Oxygen-containing heterocyclic compounds CBR1, CBR3, MT-CO1 MAOB 572/4885MAOA 642/4885PRKCI 3480/4885

“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.