SCHEMBL16539802

SCHEMBL16539802

O=S(=O)(Oc1cc(CO)cc2ccccc12)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 1/20 0.35
▸ TOP2B Q02880 1/20 0.35
▸ DRD2 P14416 4/20 0.35
▸ DRD1 P21728 4/20 0.35
▸ DRD4 P21917 4/20 0.35
▸ DRD5 P21918 4/20 0.35
▸ DRD3 P35462 4/20 0.35
▸ PKM P14618 1/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ EPAS1 Q99814 1/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ HPGD P15428 3/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ AKR1B1 P15121 1/20 0.34
▸ MRGPRX4 Q96LA9 1/20 0.34
▸ NR1I2 O75469 1/20 0.34
▸ MCL1 Q07820 1/20 0.33
▸ HSD17B10 Q99714 2/20 0.33

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
SCHEMBL19637178 0.84 DRD2 (0.36) DRD2DRD1DRD4DRD5DRD3
SCHEMBL30064989 0.81 NQO2 (0.43) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL2656359 0.81 NQO2 (0.43) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL28211609 0.81 ADORA2A (0.34) DRD2DRD1DRD4DRD5DRD3
SCHEMBL31722992 0.81 ADORA2A (0.39) DRD2DRD1DRD4DRD5DRD3
SCHEMBL6937631 0.79 GPR84 (0.45) DRD2DRD1DRD4DRD5DRD3
SCHEMBL17945537 0.79 KMT2A (0.40) PKMMEN1KMT2AKDM4EALDH1A1
SCHEMBL15998741 0.78 HTT (0.39) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL19959255 0.78 CYP1A2 (0.43) DRD2DRD1DRD4DRD5DRD3
SCHEMBL29210252 0.78 HSD17B10 (0.35) DRD2DRD1DRD4DRD5DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493396-B2 Substituted naphthalene compounds as calcium sensing receptor modulators LUPIN ATLANTIS HOLDINGS SA (CH) 2016-11-15 — — US disclosed
US-9493396-B2 Substituted naphthalene compounds as calcium sensing receptor modulators LUPIN ATLANTIS HOLDINGS SA (CH) 2016-11-15 — — US disclosed
US-9493396-B2 Substituted naphthalene compounds as calcium sensing receptor modulators LUPIN ATLANTIS HOLDINGS SA (CH) 2016-11-15 — — US disclosed
US-20160214924-A1 SUBSTITUTED NAPHTHALENE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN ATLANTIS HOLDINGS SA (CH) 2016-07-28 — — US disclosed
US-20160214924-A1 SUBSTITUTED NAPHTHALENE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN ATLANTIS HOLDINGS SA (CH) 2016-07-28 — — US disclosed
US-20160214924-A1 SUBSTITUTED NAPHTHALENE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN ATLANTIS HOLDINGS SA (CH) 2016-07-28 — — US disclosed
EP-3039014-A1 SUBSTITUTED NAPHTHALENE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS Lupin Atlantis Holdings SA (CH) 2016-07-06 — — EP disclosed
WO-2015028938-A1 SUBSTITUTED NAPHTHALENE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN LIMITED (IN) 2015-03-05 — — WO disclosed
WO-2015028938-A1 SUBSTITUTED NAPHTHALENE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN LIMITED (IN) 2015-03-05 — — 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-20160214924-A1 SUBSTITUTED NAPHTHALENE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS CASR, RYR2, RYR1 TOP2A 3845/4885TOP2B 4126/4885DRD2 2484/4885

“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.

Send feedback