SCHEMBL339689

SCHEMBL339689

O=c1sc2ccccc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.46
CA9 Q16790 3/20 0.46
GPR3 P46089 1/20 0.45
ALDH1A1 P00352 4/20 0.39
ALOX15 P16050 2/20 0.39
KDM4E B2RXH2 4/20 0.39
CASP3 P42574 2/20 0.39
DDAH1 O94760 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
G6PD P11413 1/20 0.36
CYP2A6 P11509 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35

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
SCHEMBL8540490 0.72 TDP1 (0.30) TDP1
SCHEMBL8458105 0.72 GPR3 (0.50) CA12CA9GPR3ALDH1A1ALOX15
SCHEMBL29700035 0.72 GPR3 (0.50) CA12CA9GPR3ALDH1A1ALOX15
SCHEMBL30515127 0.67 GPR3 (0.68) CA12CA9GPR3ALDH1A1ALOX15
SCHEMBL36332 0.67 GPR3 (0.68) CA12CA9GPR3ALDH1A1ALOX15
SCHEMBL10476774 0.67 GPR3 (0.68) CA12CA9GPR3ALDH1A1ALOX15
SCHEMBL4696033 0.67 GPR3 (0.68) CA12CA9GPR3ALDH1A1ALOX15
SCHEMBL9160474 0.67 GPR3 (0.68) CA12CA9GPR3ALDH1A1ALOX15
SCHEMBL29374932 0.67 GPR3 (0.68) CA12CA9GPR3ALDH1A1ALOX15
SCHEMBL11164867 0.67 GPR3 (0.45) CA12CA9GPR3ALDH1A1ALOX15

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 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4139362-A SULFURIZATION, PEROXIDATION THE ANSUL COMPANY (US) 1979-02-13 US claimed
US-4084954-A HERBICIDES, FUNGICIDES, NEMATOCIDES, INSECTICIDES THE ANSUL COMPANY (US) 1978-04-18 US claimed
US-20220024907-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2022-01-27 US disclosed
US-11174251-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2021-11-16 US disclosed
EP-2598500-B1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS INC (US) 2021-05-19 EP disclosed
US-20200216431-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2020-07-09 US disclosed
US-20200115371-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2020-04-16 US disclosed
US-10556891-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2020-02-11 US disclosed
US-10479783-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2019-11-19 US disclosed
US-RE47396-E1 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2019-05-21 US disclosed
US-20180265503-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2018-09-20 US disclosed
US-4177270-A Soil fungicidal (nitrogen heterocyclic)-substituted-1,3-benzodithiole-2-ones THE ANSUL COMPANY (US) 1979-12-04 US disclosed
US-4177270-A Soil fungicidal (nitrogen heterocyclic)-substituted-1,3-benzodithiole-2-ones THE ANSUL COMPANY (US) 1979-12-04 US disclosed
US-4175186-A CYCLIZATION OF A NITROHALOBENZENE COMPOUND WITH A DIALKYDITHIOCARBAMIC ACID THE ANSUL COMPANY (US) 1979-11-20 US disclosed
US-4175186-A CYCLIZATION OF A NITROHALOBENZENE COMPOUND WITH A DIALKYDITHIOCARBAMIC ACID THE ANSUL COMPANY (US) 1979-11-20 US disclosed
US-4175186-A CYCLIZATION OF A NITROHALOBENZENE COMPOUND WITH A DIALKYDITHIOCARBAMIC ACID THE ANSUL COMPANY (US) 1979-11-20 US disclosed
US-4139362-A SULFURIZATION, PEROXIDATION THE ANSUL COMPANY (US) 1979-02-13 US disclosed
US-4084954-A HERBICIDES, FUNGICIDES, NEMATOCIDES, INSECTICIDES THE ANSUL COMPANY (US) 1978-04-18 US disclosed
US-4084954-A HERBICIDES, FUNGICIDES, NEMATOCIDES, INSECTICIDES THE ANSUL COMPANY (US) 1978-04-18 US disclosed
US-4084954-A HERBICIDES, FUNGICIDES, NEMATOCIDES, INSECTICIDES THE ANSUL COMPANY (US) 1978-04-18 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 (7 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-20200115371-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CA12 4248/4885CA9 4469/4885GPR3 2697/4885
US-20180265503-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CA12 4262/4885CA9 4511/4885GPR3 2620/4885
US-20200216431-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CA12 4262/4885CA9 4511/4885GPR3 2620/4885
US-11174251-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 CA12 4248/4885CA9 4469/4885GPR3 2697/4885
US-10479783-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 CA12 4248/4885CA9 4469/4885GPR3 2697/4885
US-10556891-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 CA12 4262/4885CA9 4511/4885GPR3 2620/4885
US-20220024907-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CA12 4248/4885CA9 4469/4885GPR3 2697/4885

“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.