SCHEMBL19921880

SCHEMBL19921880

O=S(=O)(Nc1cc(C(F)(F)F)ccc1N1CC[C@@H]2CCCC[C@H]2C1)c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 2/20 0.53
▸ LMNA P02545 4/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ ERAP1 Q9NZ08 2/20 0.49
▸ TSHR P16473 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ DNMT1 P26358 1/20 0.44
▸ CASP6 P55212 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ USP2 O75604 1/20 0.43
▸ USP8 P40818 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CCR9 P51686 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ CKS1B P61024 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
SCHEMBL19932362 0.89 ALDH1A1 (0.64) NAMPTLMNAALDH1A1KMT2AERAP1
SCHEMBL20117834 0.89 ALDH1A1 (0.64) NAMPTLMNAALDH1A1KMT2AERAP1
SCHEMBL19932327 0.89 ALDH1A1 (0.64) NAMPTLMNAALDH1A1KMT2AERAP1
SCHEMBL22111910 0.85 NAMPT (0.48) NAMPTLMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL19932398 0.84 LMNA (0.53) NAMPTLMNAALDH1A1ERAP1KDM4E
SCHEMBL19921882 0.84 LMNA (0.53) NAMPTLMNAALDH1A1ERAP1KDM4E
SCHEMBL20117643 0.83 LMNA (0.57) NAMPTLMNAALDH1A1ERAP1KDM4E
SCHEMBL20117914 0.83 LMNA (0.52) NAMPTLMNAALDH1A1ERAP1KDM4E
SCHEMBL21323075 0.83 LMNA (0.52) NAMPTLMNAALDH1A1ERAP1KDM4E
SCHEMBL19921881 0.83 LMNA (0.66) NAMPTLMNAALDH1A1KMT2AERAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200188382-A1 PHARMACEUTICAL COMPOSITION FOR INDUCING PROGRAMMED CELL DEATH IN CANCER CELLS KYOTO UNIVERSITY (JP) 2020-06-18 — — US disclosed
US-20200188382-A1 PHARMACEUTICAL COMPOSITION FOR INDUCING PROGRAMMED CELL DEATH IN CANCER CELLS KYOTO UNIVERSITY (JP) 2020-06-18 — — US disclosed
EP-3533470-A1 PHARMACEUTICAL COMPOSITION FOR INDUCING PROGRAMMED CELL DEATH IN CANCER CELLS Kyoto University (JP) 2019-09-04 — — EP disclosed
US-20180290979-A1 COMPOSITION HAVING COMPOUND ACCELERATING PHOSPHORYLATION OF AMPK AS EFFECTIVE COMPONENT KYOTO UNIVERSITY (JP) 2018-10-11 — — US disclosed
WO-2018079855-A1 PHARMACEUTICAL COMPOSITION FOR INDUCING PROGRAMMED CELL DEATH IN CANCER CELLS 国立大学法人京都大学 2018-05-03 — — WO disclosed
EP-3289873-A1 COMPOSITION HAVING COMPOUND ACCELERATING PHOSPHORYLATION OF AMPK AS EFFECTIVE COMPONENT Kyoto University (JP) 2018-03-07 — — EP disclosed
EP-3289873-A1 COMPOSITION HAVING COMPOUND ACCELERATING PHOSPHORYLATION OF AMPK AS EFFECTIVE COMPONENT Kyoto University (JP) 2018-03-07 — — EP 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 (2 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-20200188382-A1 PHARMACEUTICAL COMPOSITION FOR INDUCING PROGRAMMED CELL DEATH IN CANCER CELLS CASP3, BAX, BAD NAMPT 437/4885LMNA 1177/4885ALDH1A1 2235/4885
US-20180290979-A1 COMPOSITION HAVING COMPOUND ACCELERATING PHOSPHORYLATION OF AMPK AS EFFECTIVE COMPONENT PRKAG1, PRKAG2, PRKAB1 NAMPT 762/4885LMNA 1405/4885ALDH1A1 2830/4885

“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.

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