SCHEMBL16067495

SCHEMBL16067495

CC(C)C(=O)OCc1ccc(OC(=O)N2CCN(C)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 1/20 0.47
▸ ITGA4 P13612 1/20 0.47
▸ ITGB7 P26010 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ KMT2A Q03164 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.40
▸ MGLL Q99685 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ HTR2A P28223 3/20 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
SCHEMBL24454656 0.89 ITGB1 (0.45) ITGB1ITGA4ITGB7MAPTALDH1A1
SCHEMBL16067437 0.86 KMT2A (0.48) ITGB1ITGA4ITGB7MAPTALDH1A1
SCHEMBL21898355 0.83 ITGB1 (0.47) ITGB1ITGA4ITGB7MAPTALDH1A1
SCHEMBL26417660 0.78 ELANE (0.59) ALDH1A1HTR2A
SCHEMBL2058808 0.77 ITGB1 (0.48) ITGB1ITGA4ITGB7MAPTALDH1A1
SCHEMBL17486683 0.77 ELANE (0.53) MAPTALDH1A1POLBKMT2AHSD17B10
SCHEMBL2059183 0.76 ITGB3 (0.70) ITGB1ITGA4ITGB7
SCHEMBL2857963 0.75 ITGB1 (0.57) ITGB1ITGA4ITGB7MAPTALDH1A1
SCHEMBL8060168 0.75 ITGB1 (0.57) ITGB1ITGA4ITGB7MAPTALDH1A1
SCHEMBL15134826 0.75 CYP1A2 (0.69) MAPTALDH1A1POLBKMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3938372-B1 AZETIDOBENZODIAZEPINE DIMERS AND CONJUGATES COMPRISING THEM FOR USE IN THE TREATMENT OF CANCER MEDIMMUNE LTD (GB) 2023-10-25 — — EP disclosed
EP-3612537-B1 PYRROLOBENZODIAZEPINE CONJUGATES MEDIMMUNE LTD (GB) 2022-07-13 — — EP disclosed
US-11370801-B2 Pyrrolobenzodiazepine conjugates MEDIMMUNE LIMITED (GB) 2022-06-28 — — US disclosed
US-20220160881-A1 AZETIDOBENZODIAZEPINE DIMERS AND CONJUGATES COMPRISING THEM FOR USE IN THE TREATMENT OF CANCER MEDIMMUNE LIMITED (GB) 2022-05-26 — — US disclosed
US-20210380605-A1 PYRROLOBENZODIAZEPINE CONJUGATES MEDIMMUNE LIMITED (GB) 2021-12-09 — — US disclosed
US-20210316006-A1 PYRROLOBENZODIAZEPINE CONJUGATES MEDIMMUNE LIMITED (GB) 2021-10-14 — — US disclosed
WO-2020187721-A1 AZETIDOBENZODIAZEPINE DIMERS AND CONJUGATES COMPRISING THEM FOR USE IN THE TREATMENT OF CANCER MEDIMMUNE LIMITED (GB) 2020-09-24 — — WO disclosed
WO-2020079229-A1 PYRROLOBENZODIAZEPINE CONJUGATES MEDIMMUNE LIMITED (GB) 2020-04-23 — — WO disclosed
US-20200115390-A1 PYRROLOBENZODIAZEPINE CONJUGATES MEDIMMUNE LIMITED (GB) 2020-04-16 — — US disclosed
US-10188746-B2 Pyrrolobenzodiazepines and conjugates thereof MEDIMMUNE LIMITED (GB) 2019-01-29 — — US disclosed
EP-2968585-B1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MEDIMMUNE LTD (GB) 2018-07-18 — — EP disclosed
US-20170340752-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MEDIMMUNE LIMITED (GB) 2017-11-30 — — US disclosed
US-20160031887-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF SPIROGEN LIMITED (GB) 2016-02-04 — — US disclosed
WO-2014140174-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF SPIROGEN SÀRL (CH) 2014-09-18 — — 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 (8 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-11370801-B2 Pyrrolobenzodiazepine conjugates NR0B2, HRH3, NR0B1 ITGB1 2744/4885ITGA4 3264/4885ITGB7 2638/4885
US-20210316006-A1 PYRROLOBENZODIAZEPINE CONJUGATES BCR, MCL1, CD79B ITGB1 917/4885ITGA4 2076/4885ITGB7 569/4885
US-20200115390-A1 PYRROLOBENZODIAZEPINE CONJUGATES NR0B2, HRH3, NR0B1 ITGB1 2744/4885ITGA4 3264/4885ITGB7 2638/4885
US-20220160881-A1 AZETIDOBENZODIAZEPINE DIMERS AND CONJUGATES COMPRISING THEM FOR USE IN THE TREATMENT OF CANCER BCR, UGT2B17, BCL6B ITGB1 1479/4885ITGA4 677/4885ITGB7 596/4885
US-10188746-B2 Pyrrolobenzodiazepines and conjugates thereof CD22, GABRA1, CCNB1 ITGB1 352/4885ITGA4 1268/4885ITGB7 798/4885
US-20160031887-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF GABRA3, GABRA4, AVPR1B ITGB1 894/4885ITGA4 1008/4885ITGB7 408/4885
US-20210380605-A1 PYRROLOBENZODIAZEPINE CONJUGATES PRLHR, GLRA1, CXCR1 ITGB1 2209/4885ITGA4 3385/4885ITGB7 2458/4885
US-20170340752-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF CD22, GABRA1, CCNB1 ITGB1 352/4885ITGA4 1268/4885ITGB7 798/4885

“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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