SCHEMBL18990232

SCHEMBL18990232

CC(C)(C)OC(=O)n1c(CO)cc2c(Cl)ccc(F)c21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
TRPV3 Q8NET8 1/20 0.34
CYP3A4 P08684 2/20 0.33
CYP3A5 P20815 2/20 0.33
NR1H2 P55055 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
APP P05067 1/20 0.33
EGFR P00533 1/20 0.32
AURKB Q96GD4 1/20 0.32
RORC P51449 1/20 0.32
USP30 Q70CQ3 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
GPR119 Q8TDV5 1/20 0.31
HTR6 P50406 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31

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
SCHEMBL18992500 0.90 CYP11B1 (0.34) CYP11B1CYP11B2TRPV3CYP3A4CYP3A5
SCHEMBL29631923 0.90 CYP11B1 (0.34) CYP11B1CYP11B2TRPV3CYP3A4CYP3A5
SCHEMBL18992797 0.90 NR1H2 (0.35) NR1H2MEN1KMT2ARORCALDH1A1
SCHEMBL29632061 0.90 NR1H2 (0.35) NR1H2MEN1KMT2ARORCALDH1A1
SCHEMBL18990512 0.80 CCR2 (0.34) CYP11B1CYP11B2CYP3A4RORCALDH1A1
SCHEMBL29632060 0.80 FAAH (0.36) NR1H2MEN1KMT2ARORCALDH1A1
SCHEMBL18991509 0.80 FAAH (0.36) NR1H2MEN1KMT2ARORCALDH1A1
SCHEMBL18990513 0.80 NR1H2 (0.38) CYP11B1CYP11B2CYP3A4CYP3A5NR1H2
SCHEMBL19013557 0.78 NR1H2 (0.42) NR1H2GABRG2GABRB3GABRA5RHEB
SCHEMBL29631833 0.78 NR1H2 (0.42) TRPV3NR1H2MEN1KMT2A

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-12187728-B2 Caffeine inhibitors of MTHFD2 and uses thereof RAZE THERAPEUTICS, INC. (US) 2025-01-07 US disclosed
US-20230067237-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF RAZE THERAPEUTICS, INC. 2023-03-02 US disclosed
US-11370792-B2 Caffeine inhibitors of MTHFD2 and uses thereof RAZE THERAPEUTICS, INC. (US) 2022-06-28 US disclosed
US-20180370972-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF RAZE THERAPEUTICS, INC. 2018-12-27 US disclosed
EP-3389664-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF Raze Therapeutics Inc. (US) 2018-10-24 EP disclosed
WO-2017106352-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-06-22 WO disclosed
WO-2017106352-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-06-22 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 (4 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-12187728-B2 Caffeine inhibitors of MTHFD2 and uses thereof MTHFD2, MTHFD1, NUDT15 CYP11B1 666/4885CYP11B2 420/4885TRPV3 4349/4885
US-11370792-B2 Caffeine inhibitors of MTHFD2 and uses thereof MTHFD2, MTHFD1, NUDT15 CYP11B1 666/4885CYP11B2 420/4885TRPV3 4349/4885
US-20230067237-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF MTHFD2, MTHFD1, NUDT15 CYP11B1 666/4885CYP11B2 420/4885TRPV3 4349/4885
US-20180370972-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF MTHFD2, MTHFD1, NUDT15 CYP11B1 666/4885CYP11B2 420/4885TRPV3 4349/4885

“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.